1-(cyclopropylmethyl)-2-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine

C17H25N3 — CID 111870531

IUPAC1-(cyclopropylmethyl)-2-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine
SMILESC/N=C(\NCC1CC1)NCC1CCCc2ccccc21
InChIInChI=1S/C17H25N3/c1-18-17(19-11-13-9-10-13)20-12-15-7-4-6-14-5-2-3-8-16(14)15/h2-3,5,8,13,15H,4,6-7,9-12H2,1H3,(H2,18,19,20)
InChIKeyOCWUAOVLMGPKLC-UHFFFAOYSA-N
MW271.41 g/mol
LogP2.68
Rot. Bonds4

About 1-(cyclopropylmethyl)-2-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine

1-(cyclopropylmethyl)-2-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine (PubChem CID 111870531) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-2-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-2-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine
PubChem CID111870531
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name1-(cyclopropylmethyl)-2-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine
SMILESC/N=C(\NCC1CC1)NCC1CCCc2ccccc21
InChIInChI=1S/C17H25N3/c1-18-17(19-11-13-9-10-13)20-12-15-7-4-6-14-5-2-3-8-16(14)15/h2-3,5,8,13,15H,4,6-7,9-12H2,1H3,(H2,18,19,20)
InChIKeyOCWUAOVLMGPKLC-UHFFFAOYSA-N
XLogP2.68
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-propan-2-yl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine;hydroiodide
CID 111125764
1-(3-methoxypropyl)-2-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine
CID 110975219
2-(cyclopropylmethyl)-1-ethyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine
CID 111868820
2-methyl-1-(2-methyl-2-morpholin-4-ylpropyl)-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine
CID 111313800
2-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine
CID 111706487
1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine;hydroiodide
CID 111534265
1-(2,3-dihydro-1H-inden-1-ylmethyl)-3-[(1-hydroxycyclobutyl)methyl]-2-methylguanidine
CID 119155903
2-methyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine
CID 111933627
2-methyl-1-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine
CID 111375347
N,N-dimethyl-1-[[[N'-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide
CID 111570792
2-methyl-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine;hydroiodide
CID 111586550
1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-2-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine;hydroiodide
CID 111699382

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-2-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine?
The IUPAC name of 1-(cyclopropylmethyl)-2-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine (CID 111870531) is 1-(cyclopropylmethyl)-2-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine.
What is the SMILES notation for 1-(cyclopropylmethyl)-2-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine?
The canonical SMILES for 1-(cyclopropylmethyl)-2-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine is C/N=C(\NCC1CC1)NCC1CCCc2ccccc21.
What is the InChIKey of 1-(cyclopropylmethyl)-2-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine?
The InChIKey is OCWUAOVLMGPKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-18-17(19-11-13-9-10-13)20-12-15-7-4-6-14-5-2-3-8-16(14)15/h2-3,5,8,13,15H,4,6-7,9-12H2,1H3,(H2,18,19,20).
What are the key properties of 1-(cyclopropylmethyl)-2-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine?
1-(cyclopropylmethyl)-2-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine has a molecular weight of 271.41 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-2-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine is sourced from PubChem (CID 111870531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).