5-(ethylamino)pentan-2-ylcarbamic acid

C8H18N2O2 — CID 87840492

IUPAC5-(ethylamino)pentan-2-ylcarbamic acid
SMILESCCNCCCC(C)NC(=O)O
InChIInChI=1S/C8H18N2O2/c1-3-9-6-4-5-7(2)10-8(11)12/h7,9-10H,3-6H2,1-2H3,(H,11,12)
InChIKeyLRZNFPXBJCPJGJ-UHFFFAOYSA-N
MW174.24 g/mol
LogP1.03
Rot. Bonds6

About 5-(ethylamino)pentan-2-ylcarbamic acid

5-(ethylamino)pentan-2-ylcarbamic acid (PubChem CID 87840492) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is 5-(ethylamino)pentan-2-ylcarbamic acid.

Molecular Properties

Compound Name5-(ethylamino)pentan-2-ylcarbamic acid
PubChem CID87840492
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name5-(ethylamino)pentan-2-ylcarbamic acid
SMILESCCNCCCC(C)NC(=O)O
InChIInChI=1S/C8H18N2O2/c1-3-9-6-4-5-7(2)10-8(11)12/h7,9-10H,3-6H2,1-2H3,(H,11,12)
InChIKeyLRZNFPXBJCPJGJ-UHFFFAOYSA-N
XLogP1.03
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(ethylamino)pentan-2-ylcarbamic acid 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

7-(carboxyamino)octan-2-ylcarbamic acid
CID 146545695
5-hydroxypentan-2-ylcarbamic acid
CID 87586302
2-amino-5-(ethylamino)pentanoic acid
CID 4868762
6-[3-(ethylamino)propanoylamino]-2-methylheptanoic acid
CID 65286188
(5R)-1-N-ethyl-5-N-methylhexane-1,5-diamine
CID 166714486
4-(ethylamino)-2-methylbutanoic acid
CID 54099328
[(2R)-4-iodobutan-2-yl]carbamic acid
CID 141075426
[(2S)-1-hydroxypropan-2-yl]carbamic acid
CID 87508114
[(2S)-4-oxobutan-2-yl]carbamic acid
CID 91297255
non-8-en-2-ylcarbamic acid
CID 175945835
4-[3-(ethylamino)propylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498046
diethyl 2-[4-(ethylamino)butyl]propanedioate
CID 118595670

Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)pentan-2-ylcarbamic acid?
The IUPAC name of 5-(ethylamino)pentan-2-ylcarbamic acid (CID 87840492) is 5-(ethylamino)pentan-2-ylcarbamic acid.
What is the SMILES notation for 5-(ethylamino)pentan-2-ylcarbamic acid?
The canonical SMILES for 5-(ethylamino)pentan-2-ylcarbamic acid is CCNCCCC(C)NC(=O)O.
What is the InChIKey of 5-(ethylamino)pentan-2-ylcarbamic acid?
The InChIKey is LRZNFPXBJCPJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-3-9-6-4-5-7(2)10-8(11)12/h7,9-10H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 5-(ethylamino)pentan-2-ylcarbamic acid?
5-(ethylamino)pentan-2-ylcarbamic acid has a molecular weight of 174.24 g/mol, XLogP of 1.03, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)pentan-2-ylcarbamic acid is sourced from PubChem (CID 87840492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).