2-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcycloheptan-1-amine

C16H33N3 — CID 79303418

IUPAC2-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcycloheptan-1-amine
SMILESCCN1CCCC1CN(C)C1CCCCCC1CN
InChIInChI=1S/C16H33N3/c1-3-19-11-7-9-15(19)13-18(2)16-10-6-4-5-8-14(16)12-17/h14-16H,3-13,17H2,1-2H3
InChIKeyYVOFWONMERXTKB-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.31
Rot. Bonds5

About 2-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcycloheptan-1-amine

2-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcycloheptan-1-amine (PubChem CID 79303418) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcycloheptan-1-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcycloheptan-1-amine
PubChem CID79303418
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name2-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcycloheptan-1-amine
SMILESCCN1CCCC1CN(C)C1CCCCCC1CN
InChIInChI=1S/C16H33N3/c1-3-19-11-7-9-15(19)13-18(2)16-10-6-4-5-8-14(16)12-17/h14-16H,3-13,17H2,1-2H3
InChIKeyYVOFWONMERXTKB-UHFFFAOYSA-N
XLogP2.31
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]cyclobutan-1-amine
CID 81005238
1-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcycloheptan-1-amine
CID 79304129
[(2R)-1-ethylpyrrolidin-2-yl]methanamine;hydrochloride
CID 46738121
ethane;(1-ethylpyrrolidin-2-yl)methanamine
CID 142961136
2-(aminomethyl)-N-(cyclobutylmethyl)-N-methylcyclopentan-1-amine
CID 62860935
2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-N-methylcycloheptan-1-amine
CID 79313203
N-[[4-(aminomethyl)phenyl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine
CID 79303419
ethane;(1-ethylpyrrolidin-2-yl)methanamine;methane
CID 142875932
3-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-N-methylbutane-1,3-diamine
CID 79302990
1-cyclopentyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylethane-1,2-diamine
CID 79303331
2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]aniline
CID 79303405
N-[(1-ethylpyrrolidin-2-yl)methyl]-N,4-dimethylpiperidin-3-amine
CID 79313602

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcycloheptan-1-amine?
The IUPAC name of 2-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcycloheptan-1-amine (CID 79303418) is 2-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcycloheptan-1-amine.
What is the SMILES notation for 2-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcycloheptan-1-amine?
The canonical SMILES for 2-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcycloheptan-1-amine is CCN1CCCC1CN(C)C1CCCCCC1CN.
What is the InChIKey of 2-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcycloheptan-1-amine?
The InChIKey is YVOFWONMERXTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-3-19-11-7-9-15(19)13-18(2)16-10-6-4-5-8-14(16)12-17/h14-16H,3-13,17H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcycloheptan-1-amine?
2-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcycloheptan-1-amine has a molecular weight of 267.46 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcycloheptan-1-amine is sourced from PubChem (CID 79303418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).