2-methyl-1-[(1-propan-2-ylcyclopropyl)methyl]guanidine

C9H19N3 — CID 103741953

IUPAC2-methyl-1-[(1-propan-2-ylcyclopropyl)methyl]guanidine
SMILESC/N=C(\N)NCC1(C(C)C)CC1
InChIInChI=1S/C9H19N3/c1-7(2)9(4-5-9)6-12-8(10)11-3/h7H,4-6H2,1-3H3,(H3,10,11,12)
InChIKeyCGJCQXLYMIZWCB-UHFFFAOYSA-N
MW169.27 g/mol
LogP0.96
Rot. Bonds3

About 2-methyl-1-[(1-propan-2-ylcyclopropyl)methyl]guanidine

2-methyl-1-[(1-propan-2-ylcyclopropyl)methyl]guanidine (PubChem CID 103741953) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-methyl-1-[(1-propan-2-ylcyclopropyl)methyl]guanidine.

Molecular Properties

Compound Name2-methyl-1-[(1-propan-2-ylcyclopropyl)methyl]guanidine
PubChem CID103741953
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name2-methyl-1-[(1-propan-2-ylcyclopropyl)methyl]guanidine
SMILESC/N=C(\N)NCC1(C(C)C)CC1
InChIInChI=1S/C9H19N3/c1-7(2)9(4-5-9)6-12-8(10)11-3/h7H,4-6H2,1-3H3,(H3,10,11,12)
InChIKeyCGJCQXLYMIZWCB-UHFFFAOYSA-N
XLogP0.96
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 50.96
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-N-[(1-propan-2-ylcyclopropyl)methyl]propanamide
CID 103742398
(2R)-2-amino-N-[(1-propan-2-ylcyclopropyl)methyl]pentanamide
CID 103797619
2-amino-N-[(1-propan-2-ylcyclopropyl)methyl]pentanamide
CID 103797625
2-methoxy-N-[(1-propan-2-ylcyclopropyl)methyl]propanamide
CID 103742368
(2S)-2-amino-3-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]pentanamide
CID 103833263
6-amino-N-[(1-propan-2-ylcyclopropyl)methyl]hexanamide
CID 105056131
2-(aminomethyl)-4,4-dimethyl-N-[(1-propan-2-ylcyclopropyl)methyl]pentanamide
CID 114094166
1-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylguanidine
CID 65123888
2-[(1-propan-2-ylcyclopropyl)methyl]-1-propylguanidine
CID 103742062
1-[(2S)-2-hydroxypropyl]-2-methylguanidine
CID 130678429
1-hexyl-2-[(1-propan-2-ylcyclopropyl)methyl]guanidine;hydroiodide
CID 111970331
3-amino-N-[(1-propan-2-ylcyclopropyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 113267120

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(1-propan-2-ylcyclopropyl)methyl]guanidine?
The IUPAC name of 2-methyl-1-[(1-propan-2-ylcyclopropyl)methyl]guanidine (CID 103741953) is 2-methyl-1-[(1-propan-2-ylcyclopropyl)methyl]guanidine.
What is the SMILES notation for 2-methyl-1-[(1-propan-2-ylcyclopropyl)methyl]guanidine?
The canonical SMILES for 2-methyl-1-[(1-propan-2-ylcyclopropyl)methyl]guanidine is C/N=C(\N)NCC1(C(C)C)CC1.
What is the InChIKey of 2-methyl-1-[(1-propan-2-ylcyclopropyl)methyl]guanidine?
The InChIKey is CGJCQXLYMIZWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3/c1-7(2)9(4-5-9)6-12-8(10)11-3/h7H,4-6H2,1-3H3,(H3,10,11,12).
What are the key properties of 2-methyl-1-[(1-propan-2-ylcyclopropyl)methyl]guanidine?
2-methyl-1-[(1-propan-2-ylcyclopropyl)methyl]guanidine has a molecular weight of 169.27 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(1-propan-2-ylcyclopropyl)methyl]guanidine is sourced from PubChem (CID 103741953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).