1-(aminomethyl)-N,4,4-trimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]cycloheptan-1-amine

C17H35N3 — CID 79304256

IUPAC1-(aminomethyl)-N,4,4-trimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]cycloheptan-1-amine
SMILESCN1CCCC1CN(C)C1(CN)CCCC(C)(C)CC1
InChIInChI=1S/C17H35N3/c1-16(2)8-6-9-17(14-18,11-10-16)20(4)13-15-7-5-12-19(15)3/h15H,5-14,18H2,1-4H3
InChIKeyGFNAIERQLMHDLL-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.70
Rot. Bonds4

About 1-(aminomethyl)-N,4,4-trimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]cycloheptan-1-amine

1-(aminomethyl)-N,4,4-trimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]cycloheptan-1-amine (PubChem CID 79304256) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is 1-(aminomethyl)-N,4,4-trimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]cycloheptan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N,4,4-trimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]cycloheptan-1-amine
PubChem CID79304256
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC Name1-(aminomethyl)-N,4,4-trimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]cycloheptan-1-amine
SMILESCN1CCCC1CN(C)C1(CN)CCCC(C)(C)CC1
InChIInChI=1S/C17H35N3/c1-16(2)8-6-9-17(14-18,11-10-16)20(4)13-15-7-5-12-19(15)3/h15H,5-14,18H2,1-4H3
InChIKeyGFNAIERQLMHDLL-UHFFFAOYSA-N
XLogP2.70
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]thian-4-amine
CID 79303837
4-(aminomethyl)-2-ethyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]oxan-4-amine
CID 79304484
1-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcycloheptan-1-amine
CID 79304129
N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine
CID 115449103
N-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N,1-dimethylpiperidin-3-amine
CID 80705339
1-(aminomethyl)-2-ethyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]cyclohexan-1-amine
CID 79303841
1-(aminomethyl)-N-(3-methoxypropyl)-N,4,4-trimethylcycloheptan-1-amine
CID 65088133
1-(aminomethyl)-N,4,4-trimethyl-N-(3-methylbutyl)cycloheptan-1-amine
CID 65088221
1-(aminomethyl)-4-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcycloheptan-1-amine
CID 79308723
1-(aminomethyl)-N-(cyclohexylmethyl)-N-methylcyclobutan-1-amine
CID 79521344
2-[1-(aminomethyl)cyclobutyl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide
CID 81169351
1-(aminomethyl)-N,4,4-trimethyl-N-(2-methylsulfonylethyl)cycloheptan-1-amine
CID 79849786

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N,4,4-trimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]cycloheptan-1-amine?
The IUPAC name of 1-(aminomethyl)-N,4,4-trimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]cycloheptan-1-amine (CID 79304256) is 1-(aminomethyl)-N,4,4-trimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]cycloheptan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N,4,4-trimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]cycloheptan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N,4,4-trimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]cycloheptan-1-amine is CN1CCCC1CN(C)C1(CN)CCCC(C)(C)CC1.
What is the InChIKey of 1-(aminomethyl)-N,4,4-trimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]cycloheptan-1-amine?
The InChIKey is GFNAIERQLMHDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-16(2)8-6-9-17(14-18,11-10-16)20(4)13-15-7-5-12-19(15)3/h15H,5-14,18H2,1-4H3.
What are the key properties of 1-(aminomethyl)-N,4,4-trimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]cycloheptan-1-amine?
1-(aminomethyl)-N,4,4-trimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]cycloheptan-1-amine has a molecular weight of 281.49 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N,4,4-trimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]cycloheptan-1-amine is sourced from PubChem (CID 79304256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).