N-butan-2-yl-N-butylazepan-3-amine

C14H30N2 — CID 62641187

IUPACN-butan-2-yl-N-butylazepan-3-amine
SMILESCCCCN(C(C)CC)C1CCCCNC1
InChIInChI=1S/C14H30N2/c1-4-6-11-16(13(3)5-2)14-9-7-8-10-15-12-14/h13-15H,4-12H2,1-3H3
InChIKeyZRHFRUNNLCSZIU-UHFFFAOYSA-N
MW226.41 g/mol
LogP3.03
Rot. Bonds6

About N-butan-2-yl-N-butylazepan-3-amine

N-butan-2-yl-N-butylazepan-3-amine (PubChem CID 62641187) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N-butan-2-yl-N-butylazepan-3-amine.

Molecular Properties

Compound NameN-butan-2-yl-N-butylazepan-3-amine
PubChem CID62641187
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN-butan-2-yl-N-butylazepan-3-amine
SMILESCCCCN(C(C)CC)C1CCCCNC1
InChIInChI=1S/C14H30N2/c1-4-6-11-16(13(3)5-2)14-9-7-8-10-15-12-14/h13-15H,4-12H2,1-3H3
InChIKeyZRHFRUNNLCSZIU-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

N-(5-methylheptan-3-yl)-N-propylpiperidin-3-amine
CID 63636390
N'-butan-2-yl-N'-cycloheptylpropane-1,3-diamine
CID 43137687
1-N-butan-2-yl-1-N-butyl-3-N-ethylcyclohexane-1,3-diamine
CID 79619259
N-butan-2-yl-N-propylpiperidin-4-amine
CID 60806146
N-ethyl-N-(3-methylbutan-2-yl)piperidin-3-amine
CID 63644152
N-[butyl(methyl)sulfamoyl]-N-methylpiperidin-3-amine
CID 63644066
2-[ethyl(piperidin-3-yl)amino]-N-pentylpropanamide
CID 63638698
N-butan-2-yl-N-butyl-3-piperidin-3-ylbutanamide
CID 81043746
3-[piperidin-3-yl(propyl)amino]pentanenitrile
CID 63636452
N-(2-methylpentan-3-yl)-N-propylpyrrolidin-3-amine
CID 63300198
2-[butan-2-yl(butyl)amino]cyclooctan-1-ol
CID 63473248
N-(1-cyclopropylpropyl)-N-ethylpiperidin-3-amine
CID 64917233

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-butylazepan-3-amine?
The IUPAC name of N-butan-2-yl-N-butylazepan-3-amine (CID 62641187) is N-butan-2-yl-N-butylazepan-3-amine.
What is the SMILES notation for N-butan-2-yl-N-butylazepan-3-amine?
The canonical SMILES for N-butan-2-yl-N-butylazepan-3-amine is CCCCN(C(C)CC)C1CCCCNC1.
What is the InChIKey of N-butan-2-yl-N-butylazepan-3-amine?
The InChIKey is ZRHFRUNNLCSZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-4-6-11-16(13(3)5-2)14-9-7-8-10-15-12-14/h13-15H,4-12H2,1-3H3.
What are the key properties of N-butan-2-yl-N-butylazepan-3-amine?
N-butan-2-yl-N-butylazepan-3-amine has a molecular weight of 226.41 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-butylazepan-3-amine is sourced from PubChem (CID 62641187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).