1-(aminomethyl)-2-ethyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]cyclohexan-1-amine

C16H33N3 — CID 79303841

IUPAC1-(aminomethyl)-2-ethyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]cyclohexan-1-amine
SMILESCCC1CCCCC1(CN)N(C)CC1CCCN1C
InChIInChI=1S/C16H33N3/c1-4-14-8-5-6-10-16(14,13-17)19(3)12-15-9-7-11-18(15)2/h14-15H,4-13,17H2,1-3H3
InChIKeyRAOPFGMWDUFROZ-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.31
Rot. Bonds5

About 1-(aminomethyl)-2-ethyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]cyclohexan-1-amine

1-(aminomethyl)-2-ethyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]cyclohexan-1-amine (PubChem CID 79303841) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 1-(aminomethyl)-2-ethyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-2-ethyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]cyclohexan-1-amine
PubChem CID79303841
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name1-(aminomethyl)-2-ethyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]cyclohexan-1-amine
SMILESCCC1CCCCC1(CN)N(C)CC1CCCN1C
InChIInChI=1S/C16H33N3/c1-4-14-8-5-6-10-16(14,13-17)19(3)12-15-9-7-11-18(15)2/h14-15H,4-13,17H2,1-3H3
InChIKeyRAOPFGMWDUFROZ-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

4-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]thian-4-amine
CID 79303837
1-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-N-methylcyclohexan-1-amine
CID 106872648
1-(aminomethyl)-2-ethyl-N-methyl-N-(2-methylsulfanylethyl)cyclohexan-1-amine
CID 112658132
1-(aminomethyl)-N,4,4-trimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]cycloheptan-1-amine
CID 79304256
4-(aminomethyl)-2-ethyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]oxan-4-amine
CID 79304484
N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine
CID 115449103
(2R)-2-ethyl-1-methylpyrrolidine;hydrofluoride
CID 162730747
(2R)-2-ethyl-1-methylpiperidine
CID 67552955
1-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]cyclopentane-1-carboxamide
CID 79314654
2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1-N-propylpropane-1,2-diamine
CID 79313498
1-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcycloheptan-1-amine
CID 79304129
N-methyl-N-[(1-methylpiperidin-2-yl)methyl]hydroxylamine
CID 105431089

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-2-ethyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-2-ethyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]cyclohexan-1-amine (CID 79303841) is 1-(aminomethyl)-2-ethyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-2-ethyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-2-ethyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]cyclohexan-1-amine is CCC1CCCCC1(CN)N(C)CC1CCCN1C.
What is the InChIKey of 1-(aminomethyl)-2-ethyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]cyclohexan-1-amine?
The InChIKey is RAOPFGMWDUFROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-4-14-8-5-6-10-16(14,13-17)19(3)12-15-9-7-11-18(15)2/h14-15H,4-13,17H2,1-3H3.
What are the key properties of 1-(aminomethyl)-2-ethyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]cyclohexan-1-amine?
1-(aminomethyl)-2-ethyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]cyclohexan-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 1-(aminomethyl)-2-ethyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 79303841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).