5-butyl-N,N-diethyl-3H-azepin-2-amine

C14H24N2 — CID 10421037

IUPAC5-butyl-N,N-diethyl-3H-azepin-2-amine
SMILESCCCCC1=CCC(N(CC)CC)=NC=C1
InChIInChI=1S/C14H24N2/c1-4-7-8-13-9-10-14(15-12-11-13)16(5-2)6-3/h9,11-12H,4-8,10H2,1-3H3
InChIKeyPJYYWSGGBOCOBY-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.76
Rot. Bonds5

About 5-butyl-N,N-diethyl-3H-azepin-2-amine

5-butyl-N,N-diethyl-3H-azepin-2-amine (PubChem CID 10421037) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 5-butyl-N,N-diethyl-3H-azepin-2-amine.

Molecular Properties

Compound Name5-butyl-N,N-diethyl-3H-azepin-2-amine
PubChem CID10421037
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name5-butyl-N,N-diethyl-3H-azepin-2-amine
SMILESCCCCC1=CCC(N(CC)CC)=NC=C1
InChIInChI=1S/C14H24N2/c1-4-7-8-13-9-10-14(15-12-11-13)16(5-2)6-3/h9,11-12H,4-8,10H2,1-3H3
InChIKeyPJYYWSGGBOCOBY-UHFFFAOYSA-N
XLogP3.76
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-5-fluoro-3H-azepin-2-amine
CID 13580905
N,N-diethyl-5-(trifluoromethyl)-3H-azepin-2-amine
CID 172418752
N,N-diethyl-4-(trifluoromethyl)-3H-azepin-2-amine
CID 172418760
N,N-diethyl-5-methyl-4-(trifluoromethyl)-3H-azepin-2-amine
CID 172418772
4-(tert-butyl)-N,N-diethyl-3H-azepin-2-amine
CID 4192093
3H-Azepin-2-amine, N,N-diethyl-
CID 12218543
N,N-Dibutyl-3H-azepin-2-amine
CID 20311261
N,N-diethyl-4-methyl-3H-azepin-2-amine
CID 12218528
N,N-diethyl-6-methyl-3H-azepin-2-amine
CID 12218529
N,N-diethyl-5-methyl-3H-azepin-2-amine
CID 12218538
N,N-diethyl-3-methyl-3H-azepin-2-amine
CID 12218544
N,N-diethyl-3,5,7-trimethyl-3H-azepin-2-amine
CID 12218545

Frequently Asked Questions

What is the IUPAC name of 5-butyl-N,N-diethyl-3H-azepin-2-amine?
The IUPAC name of 5-butyl-N,N-diethyl-3H-azepin-2-amine (CID 10421037) is 5-butyl-N,N-diethyl-3H-azepin-2-amine.
What is the SMILES notation for 5-butyl-N,N-diethyl-3H-azepin-2-amine?
The canonical SMILES for 5-butyl-N,N-diethyl-3H-azepin-2-amine is CCCCC1=CCC(N(CC)CC)=NC=C1.
What is the InChIKey of 5-butyl-N,N-diethyl-3H-azepin-2-amine?
The InChIKey is PJYYWSGGBOCOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-4-7-8-13-9-10-14(15-12-11-13)16(5-2)6-3/h9,11-12H,4-8,10H2,1-3H3.
What are the key properties of 5-butyl-N,N-diethyl-3H-azepin-2-amine?
5-butyl-N,N-diethyl-3H-azepin-2-amine has a molecular weight of 220.36 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-N,N-diethyl-3H-azepin-2-amine is sourced from PubChem (CID 10421037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).