N-dodecyl-N-propylpentadecan-1-amine;tridecane

C43H91N — CID 177194050

IUPACN-dodecyl-N-propylpentadecan-1-amine;tridecane
SMILESCCCCCCCCCCCCC.CCCCCCCCCCCCCCCN(CCC)CCCCCCCCCCCC
InChIInChI=1S/C30H63N.C13H28/c1-4-7-9-11-13-15-17-18-19-21-23-25-27-30-31(28-6-3)29-26-24-22-20-16-14-12-10-8-5-2;1-3-5-7-9-11-13-12-10-8-6-4-2/h4-30H2,1-3H3;3-13H2,1-2H3
InChIKeyIFIQRUQSTWMTNK-UHFFFAOYSA-N
MW622.21 g/mol
LogP16.03
Rot. Bonds37

About N-dodecyl-N-propylpentadecan-1-amine;tridecane

N-dodecyl-N-propylpentadecan-1-amine;tridecane (PubChem CID 177194050) has the molecular formula C43H91N and a molecular weight of 622.21 g/mol. Its IUPAC name is N-dodecyl-N-propylpentadecan-1-amine;tridecane.

Molecular Properties

Compound NameN-dodecyl-N-propylpentadecan-1-amine;tridecane
PubChem CID177194050
Molecular FormulaC43H91N
Molecular Weight622.21 g/mol
Exact Mass621.72
IUPAC NameN-dodecyl-N-propylpentadecan-1-amine;tridecane
SMILESCCCCCCCCCCCCC.CCCCCCCCCCCCCCCN(CCC)CCCCCCCCCCCC
InChIInChI=1S/C30H63N.C13H28/c1-4-7-9-11-13-15-17-18-19-21-23-25-27-30-31(28-6-3)29-26-24-22-20-16-14-12-10-8-5-2;1-3-5-7-9-11-13-12-10-8-6-4-2/h4-30H2,1-3H3;3-13H2,1-2H3
InChIKeyIFIQRUQSTWMTNK-UHFFFAOYSA-N
XLogP16.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds37
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.21
LogP ≤ 516.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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
N-docosyl-N-icosyldocosan-1-amine
CID 23464225
N,N-dipentylhexadecan-1-amine
CID 139723811
N,N,N',N'-tetra(undecyl)pentane-1,5-diamine
CID 152635971
N-pentadecyl-N-pentylpentadecan-1-amine
CID 139722928
N-heptadecyl-N-heptylheptadecan-1-amine
CID 139722683
N,N-didecyltridecan-1-amine
CID 139723202
N,N-dipentyltridecan-1-amine
CID 139723521
N,N'-didodecyl-N,N'-dioctylhexane-1,6-diamine
CID 154294870

Frequently Asked Questions

What is the IUPAC name of N-dodecyl-N-propylpentadecan-1-amine;tridecane?
The IUPAC name of N-dodecyl-N-propylpentadecan-1-amine;tridecane (CID 177194050) is N-dodecyl-N-propylpentadecan-1-amine;tridecane.
What is the SMILES notation for N-dodecyl-N-propylpentadecan-1-amine;tridecane?
The canonical SMILES for N-dodecyl-N-propylpentadecan-1-amine;tridecane is CCCCCCCCCCCCC.CCCCCCCCCCCCCCCN(CCC)CCCCCCCCCCCC.
What is the InChIKey of N-dodecyl-N-propylpentadecan-1-amine;tridecane?
The InChIKey is IFIQRUQSTWMTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H63N.C13H28/c1-4-7-9-11-13-15-17-18-19-21-23-25-27-30-31(28-6-3)29-26-24-22-20-16-14-12-10-8-5-2;1-3-5-7-9-11-13-12-10-8-6-4-2/h4-30H2,1-3H3;3-13H2,1-2H3.
What are the key properties of N-dodecyl-N-propylpentadecan-1-amine;tridecane?
N-dodecyl-N-propylpentadecan-1-amine;tridecane has a molecular weight of 622.21 g/mol, XLogP of 16.03, 37 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecyl-N-propylpentadecan-1-amine;tridecane is sourced from PubChem (CID 177194050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).