1-ethyl-N-methylazepan-4-amine;methyl formate

C11H24N2O2 — CID 170601459

IUPAC1-ethyl-N-methylazepan-4-amine;methyl formate
SMILESCCN1CCCC(NC)CC1.COC=O
InChIInChI=1S/C9H20N2.C2H4O2/c1-3-11-7-4-5-9(10-2)6-8-11;1-4-2-3/h9-10H,3-8H2,1-2H3;2H,1H3
InChIKeyADCICORAPKQKLG-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.87
Rot. Bonds3

About 1-ethyl-N-methylazepan-4-amine;methyl formate

1-ethyl-N-methylazepan-4-amine;methyl formate (PubChem CID 170601459) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 1-ethyl-N-methylazepan-4-amine;methyl formate.

Molecular Properties

Compound Name1-ethyl-N-methylazepan-4-amine;methyl formate
PubChem CID170601459
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name1-ethyl-N-methylazepan-4-amine;methyl formate
SMILESCCN1CCCC(NC)CC1.COC=O
InChIInChI=1S/C9H20N2.C2H4O2/c1-3-11-7-4-5-9(10-2)6-8-11;1-4-2-3/h9-10H,3-8H2,1-2H3;2H,1H3
InChIKeyADCICORAPKQKLG-UHFFFAOYSA-N
XLogP0.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 1-ethyl-N-methylazepan-4-amine;methyl formate 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

methyl N-(1-ethylazepan-4-yl)carbamate
CID 166167554
N-methyl-1-propylazepan-4-amine
CID 65072873
N-(cyclopentylmethyl)-1-ethylazepan-4-amine
CID 65074491
methyl (2S)-2-[(1-ethylazepan-4-yl)amino]propanoate
CID 65074522
2-(1-ethylazepan-4-yl)-1,1-dimethylhydrazine
CID 83005446
1-ethyl-N-(3-methoxycyclopentyl)azepan-4-amine
CID 114117952
1-ethyl-N-(1-methoxybutan-2-yl)azepan-4-amine
CID 65078446
2-[(1-ethylazepan-4-yl)amino]acetic acid
CID 65074488
N-(1,1-dioxothian-4-yl)-1-ethylazepan-4-amine
CID 65074346
2-[(1-ethylazepan-4-yl)amino]ethanol
CID 65074439
1-ethyl-N-(thian-4-ylmethyl)azepan-4-amine
CID 113487394
N-(2,2-diethoxyethyl)-1-ethylazepan-4-amine
CID 79547698

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-methylazepan-4-amine;methyl formate?
The IUPAC name of 1-ethyl-N-methylazepan-4-amine;methyl formate (CID 170601459) is 1-ethyl-N-methylazepan-4-amine;methyl formate.
What is the SMILES notation for 1-ethyl-N-methylazepan-4-amine;methyl formate?
The canonical SMILES for 1-ethyl-N-methylazepan-4-amine;methyl formate is CCN1CCCC(NC)CC1.COC=O.
What is the InChIKey of 1-ethyl-N-methylazepan-4-amine;methyl formate?
The InChIKey is ADCICORAPKQKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2.C2H4O2/c1-3-11-7-4-5-9(10-2)6-8-11;1-4-2-3/h9-10H,3-8H2,1-2H3;2H,1H3.
What are the key properties of 1-ethyl-N-methylazepan-4-amine;methyl formate?
1-ethyl-N-methylazepan-4-amine;methyl formate has a molecular weight of 216.32 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-methylazepan-4-amine;methyl formate is sourced from PubChem (CID 170601459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).