4-(aminomethyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1-propan-2-ylazepan-4-amine

C17H36N4 — CID 65078649

IUPAC4-(aminomethyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1-propan-2-ylazepan-4-amine
SMILESCC(C)N1CCCC(CN)(N(C)C2CCN(C)CC2)CC1
InChIInChI=1S/C17H36N4/c1-15(2)21-10-5-8-17(14-18,9-13-21)20(4)16-6-11-19(3)12-7-16/h15-16H,5-14,18H2,1-4H3
InChIKeyWSNCWUONCXGJCY-UHFFFAOYSA-N
MW296.50 g/mol
LogP1.60
Rot. Bonds4

About 4-(aminomethyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1-propan-2-ylazepan-4-amine

4-(aminomethyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1-propan-2-ylazepan-4-amine (PubChem CID 65078649) has the molecular formula C17H36N4 and a molecular weight of 296.50 g/mol. Its IUPAC name is 4-(aminomethyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1-propan-2-ylazepan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1-propan-2-ylazepan-4-amine
PubChem CID65078649
Molecular FormulaC17H36N4
Molecular Weight296.50 g/mol
Exact Mass296.29
IUPAC Name4-(aminomethyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1-propan-2-ylazepan-4-amine
SMILESCC(C)N1CCCC(CN)(N(C)C2CCN(C)CC2)CC1
InChIInChI=1S/C17H36N4/c1-15(2)21-10-5-8-17(14-18,9-13-21)20(4)16-6-11-19(3)12-7-16/h15-16H,5-14,18H2,1-4H3
InChIKeyWSNCWUONCXGJCY-UHFFFAOYSA-N
XLogP1.60
TPSA35.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1-propan-2-ylazepan-4-amine?
The IUPAC name of 4-(aminomethyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1-propan-2-ylazepan-4-amine (CID 65078649) is 4-(aminomethyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1-propan-2-ylazepan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1-propan-2-ylazepan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1-propan-2-ylazepan-4-amine is CC(C)N1CCCC(CN)(N(C)C2CCN(C)CC2)CC1.
What is the InChIKey of 4-(aminomethyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1-propan-2-ylazepan-4-amine?
The InChIKey is WSNCWUONCXGJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N4/c1-15(2)21-10-5-8-17(14-18,9-13-21)20(4)16-6-11-19(3)12-7-16/h15-16H,5-14,18H2,1-4H3.
What are the key properties of 4-(aminomethyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1-propan-2-ylazepan-4-amine?
4-(aminomethyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1-propan-2-ylazepan-4-amine has a molecular weight of 296.50 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1-propan-2-ylazepan-4-amine is sourced from PubChem (CID 65078649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).