1,2-dibutyl-2,3-dihydroazepin-3-amine

C14H26N2 — CID 70625505

IUPAC1,2-dibutyl-2,3-dihydroazepin-3-amine
SMILESCCCCC1C(N)C=CC=CN1CCCC
InChIInChI=1S/C14H26N2/c1-3-5-10-14-13(15)9-7-8-12-16(14)11-6-4-2/h7-9,12-14H,3-6,10-11,15H2,1-2H3
InChIKeyDYNLTTGAHKBWTF-UHFFFAOYSA-N
MW222.38 g/mol
LogP3.06
Rot. Bonds6

About 1,2-dibutyl-2,3-dihydroazepin-3-amine

1,2-dibutyl-2,3-dihydroazepin-3-amine (PubChem CID 70625505) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 1,2-dibutyl-2,3-dihydroazepin-3-amine.

Molecular Properties

Compound Name1,2-dibutyl-2,3-dihydroazepin-3-amine
PubChem CID70625505
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name1,2-dibutyl-2,3-dihydroazepin-3-amine
SMILESCCCCC1C(N)C=CC=CN1CCCC
InChIInChI=1S/C14H26N2/c1-3-5-10-14-13(15)9-7-8-12-16(14)11-6-4-2/h7-9,12-14H,3-6,10-11,15H2,1-2H3
InChIKeyDYNLTTGAHKBWTF-UHFFFAOYSA-N
XLogP3.06
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-butyl-2-hexyl-2H-pyridine
CID 141363416
1-hexyl-2-methyl-2H-pyridine
CID 141126590
1-hexadecyl-2-methyl-2H-pyridine;hydrochloride
CID 174781716
2-bromo-1-hexyl-2H-pyridine
CID 161493012
2-methyl-1-propyl-2H-pyridine;hydrobromide
CID 174983516
1-ethyl-2-hexyl-2H-pyridine
CID 151890426
1,2-dibutyl-3-heptyl-2H-imidazole
CID 69386884
2-(1-pentyl-2H-pyridin-2-yl)acetic acid
CID 162720512
1-ethyl-2H-pyridin-2-amine;hydrobromide
CID 174660066
2-butyl-1,3-di(heptadecyl)-2H-imidazole
CID 69390303
1,3-dibutyl-2-dodecyl-2H-imidazole
CID 69398132
2-butyl-1-hexadecyl-3-octyl-2H-imidazole
CID 69391441

Frequently Asked Questions

What is the IUPAC name of 1,2-dibutyl-2,3-dihydroazepin-3-amine?
The IUPAC name of 1,2-dibutyl-2,3-dihydroazepin-3-amine (CID 70625505) is 1,2-dibutyl-2,3-dihydroazepin-3-amine.
What is the SMILES notation for 1,2-dibutyl-2,3-dihydroazepin-3-amine?
The canonical SMILES for 1,2-dibutyl-2,3-dihydroazepin-3-amine is CCCCC1C(N)C=CC=CN1CCCC.
What is the InChIKey of 1,2-dibutyl-2,3-dihydroazepin-3-amine?
The InChIKey is DYNLTTGAHKBWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-3-5-10-14-13(15)9-7-8-12-16(14)11-6-4-2/h7-9,12-14H,3-6,10-11,15H2,1-2H3.
What are the key properties of 1,2-dibutyl-2,3-dihydroazepin-3-amine?
1,2-dibutyl-2,3-dihydroazepin-3-amine has a molecular weight of 222.38 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibutyl-2,3-dihydroazepin-3-amine is sourced from PubChem (CID 70625505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).