2-[(1-propan-2-ylazepan-4-yl)amino]ethyl carbamate

C12H25N3O2 — CID 83210079

IUPAC2-[(1-propan-2-ylazepan-4-yl)amino]ethyl carbamate
SMILESCC(C)N1CCCC(NCCOC(N)=O)CC1
InChIInChI=1S/C12H25N3O2/c1-10(2)15-7-3-4-11(5-8-15)14-6-9-17-12(13)16/h10-11,14H,3-9H2,1-2H3,(H2,13,16)
InChIKeyRYOXAODJSLYOJP-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.93
Rot. Bonds5

About 2-[(1-propan-2-ylazepan-4-yl)amino]ethyl carbamate

2-[(1-propan-2-ylazepan-4-yl)amino]ethyl carbamate (PubChem CID 83210079) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[(1-propan-2-ylazepan-4-yl)amino]ethyl carbamate.

Molecular Properties

Compound Name2-[(1-propan-2-ylazepan-4-yl)amino]ethyl carbamate
PubChem CID83210079
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name2-[(1-propan-2-ylazepan-4-yl)amino]ethyl carbamate
SMILESCC(C)N1CCCC(NCCOC(N)=O)CC1
InChIInChI=1S/C12H25N3O2/c1-10(2)15-7-3-4-11(5-8-15)14-6-9-17-12(13)16/h10-11,14H,3-9H2,1-2H3,(H2,13,16)
InChIKeyRYOXAODJSLYOJP-UHFFFAOYSA-N
XLogP0.93
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[2-[(1-propan-2-ylazepan-4-yl)amino]ethyl]propanamide
CID 65072399
2-[(1-propan-2-ylazepan-4-yl)amino]ethanol
CID 65074438
N-(2-cyclopentyloxyethyl)-1-propan-2-ylpiperidin-4-amine
CID 63823696
2-[(1-propylpiperidin-4-yl)amino]ethyl carbamate
CID 83211120
tert-butyl N-[4-[(1-propan-2-ylazepan-4-yl)amino]butan-2-yl]carbamate
CID 107247033
N-octyl-1-propan-2-ylazepan-4-amine
CID 115566933
N-ethyl-2-[(1-propan-2-ylazepan-4-yl)amino]acetamide
CID 65074642
2-methyl-1-[(1-propan-2-ylazepan-4-yl)amino]propan-2-ol
CID 65103038
tert-butyl 3-(2-carbamoyloxyethylamino)piperidine-1-carboxylate
CID 83211355
2-[(4-ethylcyclohexyl)amino]ethyl carbamate
CID 83210087
N-(3-methoxypropyl)-1-propan-2-ylpiperidin-4-amine
CID 28673243
2-[(1-cyclopropylpyrrolidin-3-yl)amino]ethyl carbamate
CID 83202820

Frequently Asked Questions

What is the IUPAC name of 2-[(1-propan-2-ylazepan-4-yl)amino]ethyl carbamate?
The IUPAC name of 2-[(1-propan-2-ylazepan-4-yl)amino]ethyl carbamate (CID 83210079) is 2-[(1-propan-2-ylazepan-4-yl)amino]ethyl carbamate.
What is the SMILES notation for 2-[(1-propan-2-ylazepan-4-yl)amino]ethyl carbamate?
The canonical SMILES for 2-[(1-propan-2-ylazepan-4-yl)amino]ethyl carbamate is CC(C)N1CCCC(NCCOC(N)=O)CC1.
What is the InChIKey of 2-[(1-propan-2-ylazepan-4-yl)amino]ethyl carbamate?
The InChIKey is RYOXAODJSLYOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-10(2)15-7-3-4-11(5-8-15)14-6-9-17-12(13)16/h10-11,14H,3-9H2,1-2H3,(H2,13,16).
What are the key properties of 2-[(1-propan-2-ylazepan-4-yl)amino]ethyl carbamate?
2-[(1-propan-2-ylazepan-4-yl)amino]ethyl carbamate has a molecular weight of 243.35 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-propan-2-ylazepan-4-yl)amino]ethyl carbamate is sourced from PubChem (CID 83210079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).