N-[(3-ethyl-4H-azepin-2-yl)methyl]-N,2-dimethylpropan-1-amine

C14H24N2 — CID 131973545

IUPACN-[(3-ethyl-4H-azepin-2-yl)methyl]-N,2-dimethylpropan-1-amine
SMILESCCC1=C(CN(C)CC(C)C)N=CC=CC1
InChIInChI=1S/C14H24N2/c1-5-13-8-6-7-9-15-14(13)11-16(4)10-12(2)3/h6-7,9,12H,5,8,10-11H2,1-4H3
InChIKeyLNLCCFVUXHENAQ-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.27
Rot. Bonds5

About N-[(3-ethyl-4H-azepin-2-yl)methyl]-N,2-dimethylpropan-1-amine

N-[(3-ethyl-4H-azepin-2-yl)methyl]-N,2-dimethylpropan-1-amine (PubChem CID 131973545) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N-[(3-ethyl-4H-azepin-2-yl)methyl]-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-[(3-ethyl-4H-azepin-2-yl)methyl]-N,2-dimethylpropan-1-amine
PubChem CID131973545
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN-[(3-ethyl-4H-azepin-2-yl)methyl]-N,2-dimethylpropan-1-amine
SMILESCCC1=C(CN(C)CC(C)C)N=CC=CC1
InChIInChI=1S/C14H24N2/c1-5-13-8-6-7-9-15-14(13)11-16(4)10-12(2)3/h6-7,9,12H,5,8,10-11H2,1-4H3
InChIKeyLNLCCFVUXHENAQ-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[(3-ethyl-4H-azepin-2-yl)methyl]-N,2-dimethylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Methyl-2-propan-2-yl-3a,7a-dihydropyrrolo[3,2-b]pyridine
CID 118489355
(4E)-8-ethyl-3-methyl-3,6,7,9-tetrahydropyrrolo[3,4-b]azocine
CID 137487596
1,2-Di(propan-2-yl)-3a,7a-dihydropyrrolo[3,2-b]pyridine
CID 155635627
N'-methyl-N'-[[3-(2-methylprop-2-enyl)-4H-azepin-2-yl]methyl]butane-1,4-diamine
CID 156421023
(6R)-6,7-dimethyl-5,6,8,9-tetrahydropyrido[4,3-b]azepine
CID 164077211
N-[1-methyl-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrol-3-yl]ethanimine
CID 169924314
(E)-N-(1-ethyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)hex-2-en-1-imine
CID 170633779
4-methyl-1-(5-methylcyclohepta-1,2,4,6-tetraen-1-yl)-3,5-dihydro-2H-pyrazin-1-ium
CID 176992876

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-4H-azepin-2-yl)methyl]-N,2-dimethylpropan-1-amine?
The IUPAC name of N-[(3-ethyl-4H-azepin-2-yl)methyl]-N,2-dimethylpropan-1-amine (CID 131973545) is N-[(3-ethyl-4H-azepin-2-yl)methyl]-N,2-dimethylpropan-1-amine.
What is the SMILES notation for N-[(3-ethyl-4H-azepin-2-yl)methyl]-N,2-dimethylpropan-1-amine?
The canonical SMILES for N-[(3-ethyl-4H-azepin-2-yl)methyl]-N,2-dimethylpropan-1-amine is CCC1=C(CN(C)CC(C)C)N=CC=CC1.
What is the InChIKey of N-[(3-ethyl-4H-azepin-2-yl)methyl]-N,2-dimethylpropan-1-amine?
The InChIKey is LNLCCFVUXHENAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-5-13-8-6-7-9-15-14(13)11-16(4)10-12(2)3/h6-7,9,12H,5,8,10-11H2,1-4H3.
What are the key properties of N-[(3-ethyl-4H-azepin-2-yl)methyl]-N,2-dimethylpropan-1-amine?
N-[(3-ethyl-4H-azepin-2-yl)methyl]-N,2-dimethylpropan-1-amine has a molecular weight of 220.36 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-4H-azepin-2-yl)methyl]-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 131973545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).