1-methyl-N-octan-4-ylazepan-4-amine

C15H32N2 — CID 113340340

IUPAC1-methyl-N-octan-4-ylazepan-4-amine
SMILESCCCCC(CCC)NC1CCCN(C)CC1
InChIInChI=1S/C15H32N2/c1-4-6-9-14(8-5-2)16-15-10-7-12-17(3)13-11-15/h14-16H,4-13H2,1-3H3
InChIKeyFRGUHQNAPDTXIU-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.42
Rot. Bonds7

About 1-methyl-N-octan-4-ylazepan-4-amine

1-methyl-N-octan-4-ylazepan-4-amine (PubChem CID 113340340) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 1-methyl-N-octan-4-ylazepan-4-amine.

Molecular Properties

Compound Name1-methyl-N-octan-4-ylazepan-4-amine
PubChem CID113340340
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name1-methyl-N-octan-4-ylazepan-4-amine
SMILESCCCCC(CCC)NC1CCCN(C)CC1
InChIInChI=1S/C15H32N2/c1-4-6-9-14(8-5-2)16-15-10-7-12-17(3)13-11-15/h14-16H,4-13H2,1-3H3
InChIKeyFRGUHQNAPDTXIU-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-N-octan-4-ylpiperidin-4-amine
CID 103776296
N-heptan-4-yl-1-methylpiperidin-4-amine
CID 43373353
1-methyl-N-pentan-3-ylazepan-4-amine
CID 65070836
N-decan-4-ylcyclohexanamine
CID 175237913
N-octan-4-yl-1-propan-2-ylpyrrolidin-3-amine
CID 103781482
N-octan-4-yl-1,1-dioxothian-4-amine
CID 106023054
1-ethyl-N-heptan-3-ylpiperidin-3-amine
CID 63946324
N-heptan-3-yl-1,2-dimethylpiperidin-4-amine
CID 81342937
N-octan-4-yl-4-propylcyclohexan-1-amine
CID 114138056
1-methyl-N-(3-methylpentan-2-yl)azepan-4-amine
CID 65070746
1-methyl-N-nonan-2-ylpiperidin-4-amine
CID 43373312
N-heptan-3-yl-1-methylsulfonylpiperidin-4-amine
CID 63945691

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-octan-4-ylazepan-4-amine?
The IUPAC name of 1-methyl-N-octan-4-ylazepan-4-amine (CID 113340340) is 1-methyl-N-octan-4-ylazepan-4-amine.
What is the SMILES notation for 1-methyl-N-octan-4-ylazepan-4-amine?
The canonical SMILES for 1-methyl-N-octan-4-ylazepan-4-amine is CCCCC(CCC)NC1CCCN(C)CC1.
What is the InChIKey of 1-methyl-N-octan-4-ylazepan-4-amine?
The InChIKey is FRGUHQNAPDTXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-4-6-9-14(8-5-2)16-15-10-7-12-17(3)13-11-15/h14-16H,4-13H2,1-3H3.
What are the key properties of 1-methyl-N-octan-4-ylazepan-4-amine?
1-methyl-N-octan-4-ylazepan-4-amine has a molecular weight of 240.43 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-octan-4-ylazepan-4-amine is sourced from PubChem (CID 113340340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).