2-(4-methylpentylamino)ethyl carbamate

C9H20N2O2 — CID 83210369

IUPAC2-(4-methylpentylamino)ethyl carbamate
SMILESCC(C)CCCNCCOC(N)=O
InChIInChI=1S/C9H20N2O2/c1-8(2)4-3-5-11-6-7-13-9(10)12/h8,11H,3-7H2,1-2H3,(H2,10,12)
InChIKeyAKROGRODPFOMBE-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.11
Rot. Bonds7

About 2-(4-methylpentylamino)ethyl carbamate

2-(4-methylpentylamino)ethyl carbamate (PubChem CID 83210369) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-(4-methylpentylamino)ethyl carbamate.

Molecular Properties

Compound Name2-(4-methylpentylamino)ethyl carbamate
PubChem CID83210369
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name2-(4-methylpentylamino)ethyl carbamate
SMILESCC(C)CCCNCCOC(N)=O
InChIInChI=1S/C9H20N2O2/c1-8(2)4-3-5-11-6-7-13-9(10)12/h8,11H,3-7H2,1-2H3,(H2,10,12)
InChIKeyAKROGRODPFOMBE-UHFFFAOYSA-N
XLogP1.11
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-methylpentylamino)ethyl carbamate 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

2-(3-aminopropylamino)ethyl carbamate
CID 83209629
16-methylheptadecyl carbamate
CID 175072884
14-methylpentadecyl carbamate
CID 175375850
2,2-dimethyl-3-(4-methylpentylamino)propanamide
CID 102672838
5-(2-carbamoyloxyethylamino)pentanoic acid
CID 103262155
4-methyl-N-(4-methylpentyl)pentan-1-amine;nitrous acid
CID 173099376
2-amino-4-(4-methylpentylamino)butanoic acid
CID 115241308
3-(3-methylbutylamino)propyl 2-methylpropanoate
CID 82532012
2-(propan-2-ylamino)ethyl carbamate
CID 79338127
2-[(3-amino-3-oxopropyl)amino]ethyl carbamate
CID 83211468
2-(5-methylhexylamino)acetamide
CID 115325450
9-[3-(4-methylpentylamino)propanoyloxy]nonyl 3-(hexylamino)propanoate
CID 91449159

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpentylamino)ethyl carbamate?
The IUPAC name of 2-(4-methylpentylamino)ethyl carbamate (CID 83210369) is 2-(4-methylpentylamino)ethyl carbamate.
What is the SMILES notation for 2-(4-methylpentylamino)ethyl carbamate?
The canonical SMILES for 2-(4-methylpentylamino)ethyl carbamate is CC(C)CCCNCCOC(N)=O.
What is the InChIKey of 2-(4-methylpentylamino)ethyl carbamate?
The InChIKey is AKROGRODPFOMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-8(2)4-3-5-11-6-7-13-9(10)12/h8,11H,3-7H2,1-2H3,(H2,10,12).
What are the key properties of 2-(4-methylpentylamino)ethyl carbamate?
2-(4-methylpentylamino)ethyl carbamate has a molecular weight of 188.27 g/mol, XLogP of 1.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpentylamino)ethyl carbamate is sourced from PubChem (CID 83210369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).