N,N,5-trimethyl-3H-azepin-2-amine

C9H14N2 — CID 166441901

IUPACN,N,5-trimethyl-3H-azepin-2-amine
SMILESCC1=CCC(N(C)C)=NC=C1
InChIInChI=1S/C9H14N2/c1-8-4-5-9(11(2)3)10-7-6-8/h4,6-7H,5H2,1-3H3
InChIKeyHMEKIQNKMAJZOH-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.81
Rot. Bonds

About N,N,5-trimethyl-3H-azepin-2-amine

N,N,5-trimethyl-3H-azepin-2-amine (PubChem CID 166441901) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is N,N,5-trimethyl-3H-azepin-2-amine.

Molecular Properties

Compound NameN,N,5-trimethyl-3H-azepin-2-amine
PubChem CID166441901
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC NameN,N,5-trimethyl-3H-azepin-2-amine
SMILESCC1=CCC(N(C)C)=NC=C1
InChIInChI=1S/C9H14N2/c1-8-4-5-9(11(2)3)10-7-6-8/h4,6-7H,5H2,1-3H3
InChIKeyHMEKIQNKMAJZOH-UHFFFAOYSA-N
XLogP1.81
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.81
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-6-(trifluoromethyl)-3H-azepin-2-amine
CID 172418759
N,N-diethyl-4-(trifluoromethyl)-3H-azepin-2-amine
CID 172418760
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
4-chloro-N,N-diethyl-3H-azepin-2-amine
CID 12218532
6-chloro-N,N-diethyl-3H-azepin-2-amine
CID 12218533
N,N-diethyl-5-methyl-3H-azepin-2-amine
CID 12218538
2-(Diethylamino)-5-chloro-3h-azepine
CID 12218539

Frequently Asked Questions

What is the IUPAC name of N,N,5-trimethyl-3H-azepin-2-amine?
The IUPAC name of N,N,5-trimethyl-3H-azepin-2-amine (CID 166441901) is N,N,5-trimethyl-3H-azepin-2-amine.
What is the SMILES notation for N,N,5-trimethyl-3H-azepin-2-amine?
The canonical SMILES for N,N,5-trimethyl-3H-azepin-2-amine is CC1=CCC(N(C)C)=NC=C1.
What is the InChIKey of N,N,5-trimethyl-3H-azepin-2-amine?
The InChIKey is HMEKIQNKMAJZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-8-4-5-9(11(2)3)10-7-6-8/h4,6-7H,5H2,1-3H3.
What are the key properties of N,N,5-trimethyl-3H-azepin-2-amine?
N,N,5-trimethyl-3H-azepin-2-amine has a molecular weight of 150.22 g/mol, XLogP of 1.81, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,5-trimethyl-3H-azepin-2-amine is sourced from PubChem (CID 166441901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).