4-(aminomethyl)-1-ethyl-N-methyl-N-(1-methylpiperidin-4-yl)azepan-4-amine

C16H34N4 — CID 65078650

IUPAC4-(aminomethyl)-1-ethyl-N-methyl-N-(1-methylpiperidin-4-yl)azepan-4-amine
SMILESCCN1CCCC(CN)(N(C)C2CCN(C)CC2)CC1
InChIInChI=1S/C16H34N4/c1-4-20-10-5-8-16(14-17,9-13-20)19(3)15-6-11-18(2)12-7-15/h15H,4-14,17H2,1-3H3
InChIKeyYIQPTSLKAWGXGW-UHFFFAOYSA-N
MW282.48 g/mol
LogP1.22
Rot. Bonds4

About 4-(aminomethyl)-1-ethyl-N-methyl-N-(1-methylpiperidin-4-yl)azepan-4-amine

4-(aminomethyl)-1-ethyl-N-methyl-N-(1-methylpiperidin-4-yl)azepan-4-amine (PubChem CID 65078650) has the molecular formula C16H34N4 and a molecular weight of 282.48 g/mol. Its IUPAC name is 4-(aminomethyl)-1-ethyl-N-methyl-N-(1-methylpiperidin-4-yl)azepan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-1-ethyl-N-methyl-N-(1-methylpiperidin-4-yl)azepan-4-amine
PubChem CID65078650
Molecular FormulaC16H34N4
Molecular Weight282.48 g/mol
Exact Mass282.28
IUPAC Name4-(aminomethyl)-1-ethyl-N-methyl-N-(1-methylpiperidin-4-yl)azepan-4-amine
SMILESCCN1CCCC(CN)(N(C)C2CCN(C)CC2)CC1
InChIInChI=1S/C16H34N4/c1-4-20-10-5-8-16(14-17,9-13-20)19(3)15-6-11-18(2)12-7-15/h15H,4-14,17H2,1-3H3
InChIKeyYIQPTSLKAWGXGW-UHFFFAOYSA-N
XLogP1.22
TPSA35.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.48
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-cyclopropyl-1-ethyl-N-methylpiperidin-4-amine
CID 43264813
N-[1-(aminomethyl)cyclobutyl]-N,1-dimethylpiperidin-4-amine
CID 79520724
4-(aminomethyl)-N-(1,1-dioxothiolan-3-yl)-1-ethyl-N-methylazepan-4-amine
CID 65078367
4-(aminomethyl)-N-methyl-N-(4-methylcyclohexyl)-1-propylazepan-4-amine
CID 65078813
4-(aminomethyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1-propan-2-ylazepan-4-amine
CID 65078649
4-(aminomethyl)-1-ethyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]azepan-4-amine
CID 65076127
4-(aminomethyl)-N-(cyclopentylmethyl)-1-ethyl-N-methylazepan-4-amine
CID 65075624
4-(aminomethyl)-1-ethyl-N-methyl-N-(oxolan-3-yl)piperidin-4-amine
CID 82735423
N-[1-(aminomethyl)-4-propan-2-ylcycloheptyl]-N,1-dimethylpiperidin-4-amine
CID 65091731
N-[4-(aminomethyl)oxan-4-yl]-N,1-dimethylpiperidin-4-amine
CID 54942199
N-[3-(aminomethyl)thian-3-yl]-1-ethyl-N-methylpiperidin-4-amine
CID 62872399
N-[3-(aminomethyl)oxolan-3-yl]-N,1-dimethylpiperidin-4-amine
CID 63335656

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-ethyl-N-methyl-N-(1-methylpiperidin-4-yl)azepan-4-amine?
The IUPAC name of 4-(aminomethyl)-1-ethyl-N-methyl-N-(1-methylpiperidin-4-yl)azepan-4-amine (CID 65078650) is 4-(aminomethyl)-1-ethyl-N-methyl-N-(1-methylpiperidin-4-yl)azepan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-1-ethyl-N-methyl-N-(1-methylpiperidin-4-yl)azepan-4-amine?
The canonical SMILES for 4-(aminomethyl)-1-ethyl-N-methyl-N-(1-methylpiperidin-4-yl)azepan-4-amine is CCN1CCCC(CN)(N(C)C2CCN(C)CC2)CC1.
What is the InChIKey of 4-(aminomethyl)-1-ethyl-N-methyl-N-(1-methylpiperidin-4-yl)azepan-4-amine?
The InChIKey is YIQPTSLKAWGXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N4/c1-4-20-10-5-8-16(14-17,9-13-20)19(3)15-6-11-18(2)12-7-15/h15H,4-14,17H2,1-3H3.
What are the key properties of 4-(aminomethyl)-1-ethyl-N-methyl-N-(1-methylpiperidin-4-yl)azepan-4-amine?
4-(aminomethyl)-1-ethyl-N-methyl-N-(1-methylpiperidin-4-yl)azepan-4-amine has a molecular weight of 282.48 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-ethyl-N-methyl-N-(1-methylpiperidin-4-yl)azepan-4-amine is sourced from PubChem (CID 65078650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).