1-(aminomethyl)-4-ethyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexan-1-amine

C16H33N3 — CID 63275986

IUPAC1-(aminomethyl)-4-ethyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexan-1-amine
SMILESCCC1CCC(CN)(N(C)CC2CCN(C)C2)CC1
InChIInChI=1S/C16H33N3/c1-4-14-5-8-16(13-17,9-6-14)19(3)12-15-7-10-18(2)11-15/h14-15H,4-13,17H2,1-3H3
InChIKeyIEYPIJMLPHYKOZ-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.17
Rot. Bonds5

About 1-(aminomethyl)-4-ethyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexan-1-amine

1-(aminomethyl)-4-ethyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexan-1-amine (PubChem CID 63275986) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 1-(aminomethyl)-4-ethyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-4-ethyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexan-1-amine
PubChem CID63275986
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name1-(aminomethyl)-4-ethyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexan-1-amine
SMILESCCC1CCC(CN)(N(C)CC2CCN(C)C2)CC1
InChIInChI=1S/C16H33N3/c1-4-14-5-8-16(13-17,9-6-14)19(3)12-15-7-10-18(2)11-15/h14-15H,4-13,17H2,1-3H3
InChIKeyIEYPIJMLPHYKOZ-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-1-ethyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]azepan-4-amine
CID 65076127
1-(aminomethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 63233140
1-(aminomethyl)-4-ethyl-N,N-dimethylcyclohexan-1-amine
CID 24692899
3-(aminomethyl)-N,1,5-trimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine
CID 81467794
3-(aminomethyl)-N,1-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyrrolidin-3-amine
CID 55175188
3-(aminomethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]thiolan-3-amine
CID 55175382
1-(aminomethyl)-4-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcycloheptan-1-amine
CID 79308723
N'-[1-(aminomethyl)-4-ethylcyclohexyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63694995
1-(aminomethyl)-N-(cyclobutylmethyl)-N-methyl-4-propylcyclohexan-1-amine
CID 62861295
1-(aminomethyl)-N-(cyclopentylmethyl)-N-methyl-4-propylcyclohexan-1-amine
CID 63631397
4-(aminomethyl)-N-(cyclopentylmethyl)-N-methyl-1-propylpiperidin-4-amine
CID 55249827
4-(aminomethyl)-N-(cyclopropylmethyl)-N-methyloxan-4-amine
CID 60984888

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-4-ethyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-4-ethyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexan-1-amine (CID 63275986) is 1-(aminomethyl)-4-ethyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-4-ethyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-4-ethyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexan-1-amine is CCC1CCC(CN)(N(C)CC2CCN(C)C2)CC1.
What is the InChIKey of 1-(aminomethyl)-4-ethyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexan-1-amine?
The InChIKey is IEYPIJMLPHYKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-4-14-5-8-16(13-17,9-6-14)19(3)12-15-7-10-18(2)11-15/h14-15H,4-13,17H2,1-3H3.
What are the key properties of 1-(aminomethyl)-4-ethyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexan-1-amine?
1-(aminomethyl)-4-ethyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexan-1-amine has a molecular weight of 267.46 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-4-ethyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 63275986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).