carbamic acid;undecan-2-amine

C12H28N2O2 — CID 175209089

IUPACcarbamic acid;undecan-2-amine
SMILESCCCCCCCCCC(C)N.NC(=O)O
InChIInChI=1S/C11H25N.CH3NO2/c1-3-4-5-6-7-8-9-10-11(2)12;2-1(3)4/h11H,3-10,12H2,1-2H3;2H2,(H,3,4)
InChIKeyUZCNALWHUQUBFC-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.10
Rot. Bonds8

About carbamic acid;undecan-2-amine

carbamic acid;undecan-2-amine (PubChem CID 175209089) has the molecular formula C12H28N2O2 and a molecular weight of 232.37 g/mol. Its IUPAC name is carbamic acid;undecan-2-amine.

Molecular Properties

Compound Namecarbamic acid;undecan-2-amine
PubChem CID175209089
Molecular FormulaC12H28N2O2
Molecular Weight232.37 g/mol
Exact Mass232.22
IUPAC Namecarbamic acid;undecan-2-amine
SMILESCCCCCCCCCC(C)N.NC(=O)O
InChIInChI=1S/C11H25N.CH3NO2/c1-3-4-5-6-7-8-9-10-11(2)12;2-1(3)4/h11H,3-10,12H2,1-2H3;2H2,(H,3,4)
InChIKeyUZCNALWHUQUBFC-UHFFFAOYSA-N
XLogP3.10
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

propanoic acid;tetradecan-2-amine
CID 173174901
(2S)-tetradecan-2-amine
CID 25021238
(2S)-tridecan-2-amine
CID 24884182
(2S)-nonadecan-2-amine
CID 94864909
nonan-2-amine;2,2,2-trifluoroacetic acid
CID 154996434
tetradecan-2-amine;hydrobromide
CID 175070931
dodecan-2-amine;hydrochloride
CID 86195878
bis(hexan-2-amine);oxalic acid
CID 175216358
nonadecane-2,14-diamine
CID 89095951
dodecan-1-amine;dodecan-2-amine
CID 88815564
acetic acid;heptatriacontan-19-amine
CID 173373447
6-methylnonadecan-2-amine
CID 54497673

Frequently Asked Questions

What is the IUPAC name of carbamic acid;undecan-2-amine?
The IUPAC name of carbamic acid;undecan-2-amine (CID 175209089) is carbamic acid;undecan-2-amine.
What is the SMILES notation for carbamic acid;undecan-2-amine?
The canonical SMILES for carbamic acid;undecan-2-amine is CCCCCCCCCC(C)N.NC(=O)O.
What is the InChIKey of carbamic acid;undecan-2-amine?
The InChIKey is UZCNALWHUQUBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N.CH3NO2/c1-3-4-5-6-7-8-9-10-11(2)12;2-1(3)4/h11H,3-10,12H2,1-2H3;2H2,(H,3,4).
What are the key properties of carbamic acid;undecan-2-amine?
carbamic acid;undecan-2-amine has a molecular weight of 232.37 g/mol, XLogP of 3.10, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbamic acid;undecan-2-amine is sourced from PubChem (CID 175209089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).