4-tert-butyl-N,N-diethyl-3H-azepin-2-amine

C14H24N2 — CID 4192093

IUPAC4-tert-butyl-N,N-diethyl-3H-azepin-2-amine
SMILESCCN(CC)C1=NC=CC=C(C(C)(C)C)C1
InChIInChI=1S/C14H24N2/c1-6-16(7-2)13-11-12(14(3,4)5)9-8-10-15-13/h8-10H,6-7,11H2,1-5H3
InChIKeyWYQVNXCVEXGKRR-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.62
Rot. Bonds2

About 4-tert-butyl-N,N-diethyl-3H-azepin-2-amine

4-tert-butyl-N,N-diethyl-3H-azepin-2-amine (PubChem CID 4192093) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 4-tert-butyl-N,N-diethyl-3H-azepin-2-amine.

Molecular Properties

Compound Name4-tert-butyl-N,N-diethyl-3H-azepin-2-amine
PubChem CID4192093
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name4-tert-butyl-N,N-diethyl-3H-azepin-2-amine
SMILESCCN(CC)C1=NC=CC=C(C(C)(C)C)C1
InChIInChI=1S/C14H24N2/c1-6-16(7-2)13-11-12(14(3,4)5)9-8-10-15-13/h8-10H,6-7,11H2,1-5H3
InChIKeyWYQVNXCVEXGKRR-UHFFFAOYSA-N
XLogP3.62
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-Dibutyl-3H-azepin-2-amine
CID 20311261
1-Ethyl-2,3,4,4a-tetrahydropyrido[2,3-b]azepine
CID 10397320
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
5-tert-butyl-N,N-diethyl-3H-azepin-2-amine
CID 13580907
N,N-diethyl-3,4-dimethyl-3H-azepin-2-amine
CID 85790493
N,N-diethyl-3,5-dimethyl-3H-azepin-2-amine
CID 85790494
N,N-diethyl-3,6-dimethyl-3H-azepin-2-amine
CID 85790496
N,N,3-triethyl-3H-azepin-2-amine
CID 85790497
N,N-diethyl-3-propan-2-yl-3H-azepin-2-amine
CID 85790498

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N,N-diethyl-3H-azepin-2-amine?
The IUPAC name of 4-tert-butyl-N,N-diethyl-3H-azepin-2-amine (CID 4192093) is 4-tert-butyl-N,N-diethyl-3H-azepin-2-amine.
What is the SMILES notation for 4-tert-butyl-N,N-diethyl-3H-azepin-2-amine?
The canonical SMILES for 4-tert-butyl-N,N-diethyl-3H-azepin-2-amine is CCN(CC)C1=NC=CC=C(C(C)(C)C)C1.
What is the InChIKey of 4-tert-butyl-N,N-diethyl-3H-azepin-2-amine?
The InChIKey is WYQVNXCVEXGKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-6-16(7-2)13-11-12(14(3,4)5)9-8-10-15-13/h8-10H,6-7,11H2,1-5H3.
What are the key properties of 4-tert-butyl-N,N-diethyl-3H-azepin-2-amine?
4-tert-butyl-N,N-diethyl-3H-azepin-2-amine has a molecular weight of 220.36 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N,N-diethyl-3H-azepin-2-amine is sourced from PubChem (CID 4192093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).