4-(aminomethyl)-N-methyl-N-(2-methylpropyl)-1-propylazepan-4-amine

C15H33N3 — CID 65078460

IUPAC4-(aminomethyl)-N-methyl-N-(2-methylpropyl)-1-propylazepan-4-amine
SMILESCCCN1CCCC(CN)(N(C)CC(C)C)CC1
InChIInChI=1S/C15H33N3/c1-5-9-18-10-6-7-15(13-16,8-11-18)17(4)12-14(2)3/h14H,5-13,16H2,1-4H3
InChIKeyGHZOOZFKWUAKBY-UHFFFAOYSA-N
MW255.45 g/mol
LogP2.17
Rot. Bonds6

About 4-(aminomethyl)-N-methyl-N-(2-methylpropyl)-1-propylazepan-4-amine

4-(aminomethyl)-N-methyl-N-(2-methylpropyl)-1-propylazepan-4-amine (PubChem CID 65078460) has the molecular formula C15H33N3 and a molecular weight of 255.45 g/mol. Its IUPAC name is 4-(aminomethyl)-N-methyl-N-(2-methylpropyl)-1-propylazepan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-methyl-N-(2-methylpropyl)-1-propylazepan-4-amine
PubChem CID65078460
Molecular FormulaC15H33N3
Molecular Weight255.45 g/mol
Exact Mass255.27
IUPAC Name4-(aminomethyl)-N-methyl-N-(2-methylpropyl)-1-propylazepan-4-amine
SMILESCCCN1CCCC(CN)(N(C)CC(C)C)CC1
InChIInChI=1S/C15H33N3/c1-5-9-18-10-6-7-15(13-16,8-11-18)17(4)12-14(2)3/h14H,5-13,16H2,1-4H3
InChIKeyGHZOOZFKWUAKBY-UHFFFAOYSA-N
XLogP2.17
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-methyl-N-pentyl-1-propylazepan-4-amine
CID 65078655
4-(aminomethyl)-N-(cyclopentylmethyl)-N-methyl-1-propylazepan-4-amine
CID 65075625
4-(aminomethyl)-N-(cyclobutylmethyl)-N-methyl-1-propylazepan-4-amine
CID 65076225
1-(aminomethyl)-N-methyl-N-(2-methylpropyl)cyclopentan-1-amine
CID 43271983
4-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)-1-propylazepan-4-amine
CID 65075878
1-(aminomethyl)-N-methyl-N-(2-methylpropyl)cyclododecan-1-amine
CID 43271985
4-(aminomethyl)-N-(cyclopentylmethyl)-N-methyl-1-propylpiperidin-4-amine
CID 55249827
4-(aminomethyl)-N-benzyl-N-methyl-1-propylazepan-4-amine
CID 65078408
4-(aminomethyl)-N-(furan-2-ylmethyl)-N-methyl-1-propylazepan-4-amine
CID 65078163
4-(aminomethyl)-N-methyl-N-(4-methylcyclohexyl)-1-propylazepan-4-amine
CID 65078813
4-(aminomethyl)-N-methyl-1-(2-methylpropyl)-N-propylpiperidin-4-amine
CID 114079353
1-(aminomethyl)-N-methyl-N-(3-pyrrolidin-1-ylpropyl)cyclopentan-1-amine
CID 62010539

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-methyl-N-(2-methylpropyl)-1-propylazepan-4-amine?
The IUPAC name of 4-(aminomethyl)-N-methyl-N-(2-methylpropyl)-1-propylazepan-4-amine (CID 65078460) is 4-(aminomethyl)-N-methyl-N-(2-methylpropyl)-1-propylazepan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-methyl-N-(2-methylpropyl)-1-propylazepan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-methyl-N-(2-methylpropyl)-1-propylazepan-4-amine is CCCN1CCCC(CN)(N(C)CC(C)C)CC1.
What is the InChIKey of 4-(aminomethyl)-N-methyl-N-(2-methylpropyl)-1-propylazepan-4-amine?
The InChIKey is GHZOOZFKWUAKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3/c1-5-9-18-10-6-7-15(13-16,8-11-18)17(4)12-14(2)3/h14H,5-13,16H2,1-4H3.
What are the key properties of 4-(aminomethyl)-N-methyl-N-(2-methylpropyl)-1-propylazepan-4-amine?
4-(aminomethyl)-N-methyl-N-(2-methylpropyl)-1-propylazepan-4-amine has a molecular weight of 255.45 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-methyl-N-(2-methylpropyl)-1-propylazepan-4-amine is sourced from PubChem (CID 65078460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).