1-(cyclopropylmethyl)-2-methyl-3-[(3-methylcyclohexyl)methyl]guanidine;hydroiodide

C14H28IN3 — CID 111868697

IUPAC1-(cyclopropylmethyl)-2-methyl-3-[(3-methylcyclohexyl)methyl]guanidine;hydroiodide
SMILESC/N=C(\NCC1CC1)NCC1CCCC(C)C1.I
InChIInChI=1S/C14H27N3.HI/c1-11-4-3-5-13(8-11)10-17-14(15-2)16-9-12-6-7-12;/h11-13H,3-10H2,1-2H3,(H2,15,16,17);1H
InChIKeyGAKFIDMGHXPFGY-UHFFFAOYSA-N
MW365.30 g/mol
LogP3.01
Rot. Bonds4

About 1-(cyclopropylmethyl)-2-methyl-3-[(3-methylcyclohexyl)methyl]guanidine;hydroiodide

1-(cyclopropylmethyl)-2-methyl-3-[(3-methylcyclohexyl)methyl]guanidine;hydroiodide (PubChem CID 111868697) has the molecular formula C14H28IN3 and a molecular weight of 365.30 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-2-methyl-3-[(3-methylcyclohexyl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-2-methyl-3-[(3-methylcyclohexyl)methyl]guanidine;hydroiodide
PubChem CID111868697
Molecular FormulaC14H28IN3
Molecular Weight365.30 g/mol
Exact Mass365.13
IUPAC Name1-(cyclopropylmethyl)-2-methyl-3-[(3-methylcyclohexyl)methyl]guanidine;hydroiodide
SMILESC/N=C(\NCC1CC1)NCC1CCCC(C)C1.I
InChIInChI=1S/C14H27N3.HI/c1-11-4-3-5-13(8-11)10-17-14(15-2)16-9-12-6-7-12;/h11-13H,3-10H2,1-2H3,(H2,15,16,17);1H
InChIKeyGAKFIDMGHXPFGY-UHFFFAOYSA-N
XLogP3.01
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.30
LogP ≤ 53.01
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-cyclopropyl-2-methyl-3-[(3-methylcyclohexyl)methyl]guanidine;hydroiodide
CID 110934560
1-cyclopentyl-2-methyl-3-[(3-methylcyclohexyl)methyl]guanidine;hydroiodide
CID 110990004
2-methyl-1-[(3-methylcyclohexyl)methyl]-3-(2-methylcyclopropyl)guanidine
CID 111962409
1-(cyclooctylmethyl)-3-(cyclopropylmethyl)-2-methylguanidine;hydroiodide
CID 111869131
tert-butyl N-[2-[[N'-methyl-N-[(3-methylcyclohexyl)methyl]carbamimidoyl]amino]ethyl]carbamate
CID 111884497
1-(cyclobutylmethyl)-2-methyl-3-[[4-(trifluoromethyl)cyclohexyl]methyl]guanidine
CID 119140565
2-methyl-1-[(3-methylcyclohexyl)methyl]-3-(2-morpholin-4-ylethyl)guanidine
CID 111081671
1-(cyclopropylmethyl)-2-methyl-3-[(2-methylcyclohexyl)methyl]guanidine;hydroiodide
CID 111867847
1-(cyclopropylmethyl)-3-ethyl-2-methylguanidine
CID 131101788
2-methyl-1-[(3-methylcyclohexyl)methyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine;hydroiodide
CID 111013554
tert-butyl N-[[(1R,3S)-3-methylcyclohexyl]methyl]carbamate
CID 171338256
1-(cyclobutylmethyl)-2-[(3-methylcyclopentyl)methyl]guanidine;hydroiodide
CID 120663205

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-2-methyl-3-[(3-methylcyclohexyl)methyl]guanidine;hydroiodide?
The IUPAC name of 1-(cyclopropylmethyl)-2-methyl-3-[(3-methylcyclohexyl)methyl]guanidine;hydroiodide (CID 111868697) is 1-(cyclopropylmethyl)-2-methyl-3-[(3-methylcyclohexyl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-(cyclopropylmethyl)-2-methyl-3-[(3-methylcyclohexyl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1-(cyclopropylmethyl)-2-methyl-3-[(3-methylcyclohexyl)methyl]guanidine;hydroiodide is C/N=C(\NCC1CC1)NCC1CCCC(C)C1.I.
What is the InChIKey of 1-(cyclopropylmethyl)-2-methyl-3-[(3-methylcyclohexyl)methyl]guanidine;hydroiodide?
The InChIKey is GAKFIDMGHXPFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3.HI/c1-11-4-3-5-13(8-11)10-17-14(15-2)16-9-12-6-7-12;/h11-13H,3-10H2,1-2H3,(H2,15,16,17);1H.
What are the key properties of 1-(cyclopropylmethyl)-2-methyl-3-[(3-methylcyclohexyl)methyl]guanidine;hydroiodide?
1-(cyclopropylmethyl)-2-methyl-3-[(3-methylcyclohexyl)methyl]guanidine;hydroiodide has a molecular weight of 365.30 g/mol, XLogP of 3.01, 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-[(3-methylcyclohexyl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 111868697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).