1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-methyl-3-(6-methylheptan-2-yl)guanidine

C18H36N4 — CID 111173003

IUPAC1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-methyl-3-(6-methylheptan-2-yl)guanidine
SMILESC/N=C(/NCC1CCN(C2CC2)C1)NC(C)CCCC(C)C
InChIInChI=1S/C18H36N4/c1-14(2)6-5-7-15(3)21-18(19-4)20-12-16-10-11-22(13-16)17-8-9-17/h14-17H,5-13H2,1-4H3,(H2,19,20,21)
InChIKeyUMRQCKFNBVDAEH-UHFFFAOYSA-N
MW308.51 g/mol
LogP2.85
Rot. Bonds8

About 1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-methyl-3-(6-methylheptan-2-yl)guanidine

1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-methyl-3-(6-methylheptan-2-yl)guanidine (PubChem CID 111173003) has the molecular formula C18H36N4 and a molecular weight of 308.51 g/mol. Its IUPAC name is 1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-methyl-3-(6-methylheptan-2-yl)guanidine.

Molecular Properties

Compound Name1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-methyl-3-(6-methylheptan-2-yl)guanidine
PubChem CID111173003
Molecular FormulaC18H36N4
Molecular Weight308.51 g/mol
Exact Mass308.29
IUPAC Name1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-methyl-3-(6-methylheptan-2-yl)guanidine
SMILESC/N=C(/NCC1CCN(C2CC2)C1)NC(C)CCCC(C)C
InChIInChI=1S/C18H36N4/c1-14(2)6-5-7-15(3)21-18(19-4)20-12-16-10-11-22(13-16)17-8-9-17/h14-17H,5-13H2,1-4H3,(H2,19,20,21)
InChIKeyUMRQCKFNBVDAEH-UHFFFAOYSA-N
XLogP2.85
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.51
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-methyl-3-[3-(2-methylpropoxy)propyl]guanidine
CID 111400549
1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-methyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111317878
1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-methyl-3-prop-2-enylguanidine
CID 110982011
2-methyl-1-(3-methylbutan-2-yl)-3-[(1-methylpyrrolidin-3-yl)methyl]guanidine
CID 111002027
2-methyl-1-(5-methylhexan-2-yl)-3-[(1-propylpyrrolidin-3-yl)methyl]guanidine;hydroiodide
CID 111203587
1-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-2-methyl-3-(6-methylheptan-2-yl)guanidine
CID 111761685
1-(4-cyclopentylbutyl)-3-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-methylguanidine;hydroiodide
CID 111608589
1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-methyl-3-[3-(4-propan-2-ylphenyl)propyl]guanidine
CID 111549464
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-methylhexan-2-amine
CID 54927106
1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-methyl-3-[3-(4-propan-2-ylphenyl)propyl]guanidine;hydroiodide
CID 111549463
1-[(1-ethylpiperidin-3-yl)methyl]-2-methyl-3-(5-methylhexan-2-yl)guanidine;hydroiodide
CID 111203599
1-(2-cycloheptyloxyethyl)-3-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-methylguanidine;hydroiodide
CID 111575172

Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-methyl-3-(6-methylheptan-2-yl)guanidine?
The IUPAC name of 1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-methyl-3-(6-methylheptan-2-yl)guanidine (CID 111173003) is 1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-methyl-3-(6-methylheptan-2-yl)guanidine.
What is the SMILES notation for 1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-methyl-3-(6-methylheptan-2-yl)guanidine?
The canonical SMILES for 1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-methyl-3-(6-methylheptan-2-yl)guanidine is C/N=C(/NCC1CCN(C2CC2)C1)NC(C)CCCC(C)C.
What is the InChIKey of 1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-methyl-3-(6-methylheptan-2-yl)guanidine?
The InChIKey is UMRQCKFNBVDAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N4/c1-14(2)6-5-7-15(3)21-18(19-4)20-12-16-10-11-22(13-16)17-8-9-17/h14-17H,5-13H2,1-4H3,(H2,19,20,21).
What are the key properties of 1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-methyl-3-(6-methylheptan-2-yl)guanidine?
1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-methyl-3-(6-methylheptan-2-yl)guanidine has a molecular weight of 308.51 g/mol, XLogP of 2.85, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-methyl-3-(6-methylheptan-2-yl)guanidine is sourced from PubChem (CID 111173003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).