N-dodecyl-N-heptyldodecan-1-amine;nitric acid

C31H66N2O3 — CID 175333869

IUPACN-dodecyl-N-heptyldodecan-1-amine;nitric acid
SMILESCCCCCCCCCCCCN(CCCCCCC)CCCCCCCCCCCC.O=[N+]([O-])O
InChIInChI=1S/C31H65N.HNO3/c1-4-7-10-13-15-17-19-21-24-27-30-32(29-26-23-12-9-6-3)31-28-25-22-20-18-16-14-11-8-5-2;2-1(3)4/h4-31H2,1-3H3;(H,2,3,4)
InChIKeyRFIJBAGIGSRRES-UHFFFAOYSA-N
MW514.88 g/mol
LogP10.75
Rot. Bonds28

About N-dodecyl-N-heptyldodecan-1-amine;nitric acid

N-dodecyl-N-heptyldodecan-1-amine;nitric acid (PubChem CID 175333869) has the molecular formula C31H66N2O3 and a molecular weight of 514.88 g/mol. Its IUPAC name is N-dodecyl-N-heptyldodecan-1-amine;nitric acid.

Molecular Properties

Compound NameN-dodecyl-N-heptyldodecan-1-amine;nitric acid
PubChem CID175333869
Molecular FormulaC31H66N2O3
Molecular Weight514.88 g/mol
Exact Mass514.51
IUPAC NameN-dodecyl-N-heptyldodecan-1-amine;nitric acid
SMILESCCCCCCCCCCCCN(CCCCCCC)CCCCCCCCCCCC.O=[N+]([O-])O
InChIInChI=1S/C31H65N.HNO3/c1-4-7-10-13-15-17-19-21-24-27-30-32(29-26-23-12-9-6-3)31-28-25-22-20-18-16-14-11-8-5-2;2-1(3)4/h4-31H2,1-3H3;(H,2,3,4)
InChIKeyRFIJBAGIGSRRES-UHFFFAOYSA-N
XLogP10.75
TPSA66.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds28
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.88
LogP ≤ 510.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', '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-heptyldodecan-1-amine;nitric acid?
The IUPAC name of N-dodecyl-N-heptyldodecan-1-amine;nitric acid (CID 175333869) is N-dodecyl-N-heptyldodecan-1-amine;nitric acid.
What is the SMILES notation for N-dodecyl-N-heptyldodecan-1-amine;nitric acid?
The canonical SMILES for N-dodecyl-N-heptyldodecan-1-amine;nitric acid is CCCCCCCCCCCCN(CCCCCCC)CCCCCCCCCCCC.O=[N+]([O-])O.
What is the InChIKey of N-dodecyl-N-heptyldodecan-1-amine;nitric acid?
The InChIKey is RFIJBAGIGSRRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H65N.HNO3/c1-4-7-10-13-15-17-19-21-24-27-30-32(29-26-23-12-9-6-3)31-28-25-22-20-18-16-14-11-8-5-2;2-1(3)4/h4-31H2,1-3H3;(H,2,3,4).
What are the key properties of N-dodecyl-N-heptyldodecan-1-amine;nitric acid?
N-dodecyl-N-heptyldodecan-1-amine;nitric acid has a molecular weight of 514.88 g/mol, XLogP of 10.75, 28 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecyl-N-heptyldodecan-1-amine;nitric acid is sourced from PubChem (CID 175333869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).