4-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)-1-propylazepan-4-amine

C17H36N4 — CID 83012034

IUPAC4-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)-1-propylazepan-4-amine
SMILESCCCN1CCCC(CN)(NN2C(C)CCCC2C)CC1
InChIInChI=1S/C17H36N4/c1-4-11-20-12-6-9-17(14-18,10-13-20)19-21-15(2)7-5-8-16(21)3/h15-16,19H,4-14,18H2,1-3H3
InChIKeyWTDKYHGJYNUIHS-UHFFFAOYSA-N
MW296.50 g/mol
LogP2.35
Rot. Bonds5

About 4-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)-1-propylazepan-4-amine

4-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)-1-propylazepan-4-amine (PubChem CID 83012034) has the molecular formula C17H36N4 and a molecular weight of 296.50 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)-1-propylazepan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)-1-propylazepan-4-amine
PubChem CID83012034
Molecular FormulaC17H36N4
Molecular Weight296.50 g/mol
Exact Mass296.29
IUPAC Name4-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)-1-propylazepan-4-amine
SMILESCCCN1CCCC(CN)(NN2C(C)CCCC2C)CC1
InChIInChI=1S/C17H36N4/c1-4-11-20-12-6-9-17(14-18,10-13-20)19-21-15(2)7-5-8-16(21)3/h15-16,19H,4-14,18H2,1-3H3
InChIKeyWTDKYHGJYNUIHS-UHFFFAOYSA-N
XLogP2.35
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)-1-propylazepan-4-amine?
The IUPAC name of 4-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)-1-propylazepan-4-amine (CID 83012034) is 4-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)-1-propylazepan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)-1-propylazepan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)-1-propylazepan-4-amine is CCCN1CCCC(CN)(NN2C(C)CCCC2C)CC1.
What is the InChIKey of 4-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)-1-propylazepan-4-amine?
The InChIKey is WTDKYHGJYNUIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N4/c1-4-11-20-12-6-9-17(14-18,10-13-20)19-21-15(2)7-5-8-16(21)3/h15-16,19H,4-14,18H2,1-3H3.
What are the key properties of 4-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)-1-propylazepan-4-amine?
4-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)-1-propylazepan-4-amine has a molecular weight of 296.50 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)-1-propylazepan-4-amine is sourced from PubChem (CID 83012034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).