N-pentan-3-yl-1-propan-2-ylazepan-4-amine

C14H30N2 — CID 65072876

IUPACN-pentan-3-yl-1-propan-2-ylazepan-4-amine
SMILESCCC(CC)NC1CCCN(C(C)C)CC1
InChIInChI=1S/C14H30N2/c1-5-13(6-2)15-14-8-7-10-16(11-9-14)12(3)4/h12-15H,5-11H2,1-4H3
InChIKeyXOOUGTWIZJSBBD-UHFFFAOYSA-N
MW226.41 g/mol
LogP3.03
Rot. Bonds5

About N-pentan-3-yl-1-propan-2-ylazepan-4-amine

N-pentan-3-yl-1-propan-2-ylazepan-4-amine (PubChem CID 65072876) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N-pentan-3-yl-1-propan-2-ylazepan-4-amine.

Molecular Properties

Compound NameN-pentan-3-yl-1-propan-2-ylazepan-4-amine
PubChem CID65072876
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN-pentan-3-yl-1-propan-2-ylazepan-4-amine
SMILESCCC(CC)NC1CCCN(C(C)C)CC1
InChIInChI=1S/C14H30N2/c1-5-13(6-2)15-14-8-7-10-16(11-9-14)12(3)4/h12-15H,5-11H2,1-4H3
InChIKeyXOOUGTWIZJSBBD-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-N-pentan-3-ylazepan-4-amine
CID 65070836
4-[(1-propan-2-ylazepan-4-yl)amino]pentan-2-ol
CID 113376079
N-(1-methylsulfanylbutan-2-yl)-1-propan-2-ylpyrrolidin-3-amine
CID 115901796
2-[(1-propan-2-ylazepan-4-yl)amino]ethanol
CID 65074438
2-cyclopropyl-2-[(1-propan-2-ylazepan-4-yl)amino]acetic acid
CID 65077029
N-octyl-1-propan-2-ylazepan-4-amine
CID 115566933
N-[(1-methylpyrrolidin-3-yl)methyl]-1-propan-2-ylazepan-4-amine
CID 65073948
N-ethyl-1-propan-2-ylpiperidin-4-amine
CID 24692919
tert-butyl N-[1-[(1-propan-2-ylazepan-4-yl)amino]butan-2-yl]carbamate
CID 107250478
N-(4-methylpentan-2-yl)-1-propan-2-ylpiperidin-4-amine
CID 43206641
1-propan-2-yl-N-(1-pyridin-4-ylethyl)azepan-4-amine
CID 65072495
2-methyl-1-[(1-propan-2-ylazepan-4-yl)amino]propan-2-ol
CID 65103038

Frequently Asked Questions

What is the IUPAC name of N-pentan-3-yl-1-propan-2-ylazepan-4-amine?
The IUPAC name of N-pentan-3-yl-1-propan-2-ylazepan-4-amine (CID 65072876) is N-pentan-3-yl-1-propan-2-ylazepan-4-amine.
What is the SMILES notation for N-pentan-3-yl-1-propan-2-ylazepan-4-amine?
The canonical SMILES for N-pentan-3-yl-1-propan-2-ylazepan-4-amine is CCC(CC)NC1CCCN(C(C)C)CC1.
What is the InChIKey of N-pentan-3-yl-1-propan-2-ylazepan-4-amine?
The InChIKey is XOOUGTWIZJSBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-5-13(6-2)15-14-8-7-10-16(11-9-14)12(3)4/h12-15H,5-11H2,1-4H3.
What are the key properties of N-pentan-3-yl-1-propan-2-ylazepan-4-amine?
N-pentan-3-yl-1-propan-2-ylazepan-4-amine has a molecular weight of 226.41 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-3-yl-1-propan-2-ylazepan-4-amine is sourced from PubChem (CID 65072876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).