carbonic acid;N,N-dipentylpentan-1-amine

C16H35NO3 — CID 157318586

IUPACcarbonic acid;N,N-dipentylpentan-1-amine
SMILESCCCCCN(CCCCC)CCCCC.O=C(O)O
InChIInChI=1S/C15H33N.CH2O3/c1-4-7-10-13-16(14-11-8-5-2)15-12-9-6-3;2-1(3)4/h4-15H2,1-3H3;(H2,2,3,4)
InChIKeyBDWXJHWTFHDZBC-UHFFFAOYSA-N
MW289.46 g/mol
LogP5.08
Rot. Bonds12

About carbonic acid;N,N-dipentylpentan-1-amine

carbonic acid;N,N-dipentylpentan-1-amine (PubChem CID 157318586) has the molecular formula C16H35NO3 and a molecular weight of 289.46 g/mol. Its IUPAC name is carbonic acid;N,N-dipentylpentan-1-amine.

Molecular Properties

Compound Namecarbonic acid;N,N-dipentylpentan-1-amine
PubChem CID157318586
Molecular FormulaC16H35NO3
Molecular Weight289.46 g/mol
Exact Mass289.26
IUPAC Namecarbonic acid;N,N-dipentylpentan-1-amine
SMILESCCCCCN(CCCCC)CCCCC.O=C(O)O
InChIInChI=1S/C15H33N.CH2O3/c1-4-7-10-13-16(14-11-8-5-2)15-12-9-6-3;2-1(3)4/h4-15H2,1-3H3;(H2,2,3,4)
InChIKeyBDWXJHWTFHDZBC-UHFFFAOYSA-N
XLogP5.08
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.46
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;N,N-didodecyldodecan-1-amine
CID 173289762
6-[di(tridecyl)amino]hexanoic acid
CID 101314498
3-[di(pentadecyl)amino]propanoic acid
CID 101313726
3-(dioctadecylamino)propanoic acid
CID 101313756
4-(didodecylamino)butanoic acid
CID 101313875
N,N'-didodecyl-N,N'-dioctylhexane-1,6-diamine
CID 154294870
N-docosyl-N-icosyldocosan-1-amine
CID 23464225
N,N-dibutylbutan-1-amine;hydrogen peroxide
CID 87070191
N,N-dipentylpentadecan-1-amine
CID 139722952
N,N-didodecyltridecan-1-amine
CID 87212898
N,N-dioctyloctan-1-amine
CID 14227
N,N-dihexyloctan-1-amine
CID 21418080

Frequently Asked Questions

What is the IUPAC name of carbonic acid;N,N-dipentylpentan-1-amine?
The IUPAC name of carbonic acid;N,N-dipentylpentan-1-amine (CID 157318586) is carbonic acid;N,N-dipentylpentan-1-amine.
What is the SMILES notation for carbonic acid;N,N-dipentylpentan-1-amine?
The canonical SMILES for carbonic acid;N,N-dipentylpentan-1-amine is CCCCCN(CCCCC)CCCCC.O=C(O)O.
What is the InChIKey of carbonic acid;N,N-dipentylpentan-1-amine?
The InChIKey is BDWXJHWTFHDZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N.CH2O3/c1-4-7-10-13-16(14-11-8-5-2)15-12-9-6-3;2-1(3)4/h4-15H2,1-3H3;(H2,2,3,4).
What are the key properties of carbonic acid;N,N-dipentylpentan-1-amine?
carbonic acid;N,N-dipentylpentan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 5.08, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;N,N-dipentylpentan-1-amine is sourced from PubChem (CID 157318586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).