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

C16H34N4 — CID 65076127

IUPAC4-(aminomethyl)-1-ethyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]azepan-4-amine
SMILESCCN1CCCC(CN)(N(C)CC2CCN(C)C2)CC1
InChIInChI=1S/C16H34N4/c1-4-20-9-5-7-16(14-17,8-11-20)19(3)13-15-6-10-18(2)12-15/h15H,4-14,17H2,1-3H3
InChIKeySPBVQTJABLBQFY-UHFFFAOYSA-N
MW282.48 g/mol
LogP1.07
Rot. Bonds5

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

4-(aminomethyl)-1-ethyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]azepan-4-amine (PubChem CID 65076127) 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-methylpyrrolidin-3-yl)methyl]azepan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-1-ethyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]azepan-4-amine
PubChem CID65076127
Molecular FormulaC16H34N4
Molecular Weight282.48 g/mol
Exact Mass282.28
IUPAC Name4-(aminomethyl)-1-ethyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]azepan-4-amine
SMILESCCN1CCCC(CN)(N(C)CC2CCN(C)C2)CC1
InChIInChI=1S/C16H34N4/c1-4-20-9-5-7-16(14-17,8-11-20)19(3)13-15-6-10-18(2)12-15/h15H,4-14,17H2,1-3H3
InChIKeySPBVQTJABLBQFY-UHFFFAOYSA-N
XLogP1.07
TPSA35.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.48
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-ethyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]azepan-4-amine?
The IUPAC name of 4-(aminomethyl)-1-ethyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]azepan-4-amine (CID 65076127) is 4-(aminomethyl)-1-ethyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]azepan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-1-ethyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]azepan-4-amine?
The canonical SMILES for 4-(aminomethyl)-1-ethyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]azepan-4-amine is CCN1CCCC(CN)(N(C)CC2CCN(C)C2)CC1.
What is the InChIKey of 4-(aminomethyl)-1-ethyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]azepan-4-amine?
The InChIKey is SPBVQTJABLBQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N4/c1-4-20-9-5-7-16(14-17,8-11-20)19(3)13-15-6-10-18(2)12-15/h15H,4-14,17H2,1-3H3.
What are the key properties of 4-(aminomethyl)-1-ethyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]azepan-4-amine?
4-(aminomethyl)-1-ethyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]azepan-4-amine has a molecular weight of 282.48 g/mol, XLogP of 1.07, 5 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-methylpyrrolidin-3-yl)methyl]azepan-4-amine is sourced from PubChem (CID 65076127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).