N-octyl-N-(1-phosphanylethyl)octan-1-amine

C18H40NP — CID 21437049

IUPACN-octyl-N-(1-phosphanylethyl)octan-1-amine
SMILESCCCCCCCCN(CCCCCCCC)C(C)P
InChIInChI=1S/C18H40NP/c1-4-6-8-10-12-14-16-19(18(3)20)17-15-13-11-9-7-5-2/h18H,4-17,20H2,1-3H3
InChIKeyAZEDZACAGHDNIQ-UHFFFAOYSA-N
MW301.50 g/mol
LogP6.23
Rot. Bonds15

About N-octyl-N-(1-phosphanylethyl)octan-1-amine

N-octyl-N-(1-phosphanylethyl)octan-1-amine (PubChem CID 21437049) has the molecular formula C18H40NP and a molecular weight of 301.50 g/mol. Its IUPAC name is N-octyl-N-(1-phosphanylethyl)octan-1-amine.

Molecular Properties

Compound NameN-octyl-N-(1-phosphanylethyl)octan-1-amine
PubChem CID21437049
Molecular FormulaC18H40NP
Molecular Weight301.50 g/mol
Exact Mass301.29
IUPAC NameN-octyl-N-(1-phosphanylethyl)octan-1-amine
SMILESCCCCCCCCN(CCCCCCCC)C(C)P
InChIInChI=1S/C18H40NP/c1-4-6-8-10-12-14-16-19(18(3)20)17-15-13-11-9-7-5-2/h18H,4-17,20H2,1-3H3
InChIKeyAZEDZACAGHDNIQ-UHFFFAOYSA-N
XLogP6.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.50
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-octyl-N-(1-phosphanylethyl)octan-1-amine 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

N-dodecyl-N-propan-2-yltetradecan-1-amine
CID 87516029
N-methyl-N-propan-2-yltridecan-1-amine
CID 88970420
1-N,1-N,1-N',1-N'-tetrakis-decyldecane-1,1-diamine
CID 152588936
N-(2-methylpropyl)-N-propan-2-ylhexan-1-amine
CID 59980738
1-[di(nonadecyl)amino]propan-1-ol
CID 87359207
ethane;N-methyl-N-propan-2-yldodecan-1-amine
CID 142585410
N-(3-chloropropyl)-N-propan-2-yldecan-1-amine
CID 55183302
N,N'-dimethyl-N,N'-dioctyldecane-1,10-diamine
CID 19772875
N-methyl-N-octadecyloctadecan-1-amine;N-methyl-N-tetradecyltetradecan-1-amine
CID 172776346
N-hexyl-N-methyldodecan-1-amine
CID 139978744
N,N-dimethyloctan-1-amine
CID 161279104
N-dodecyl-N-methyldodecan-1-amine;tetradecane
CID 118268401

Frequently Asked Questions

What is the IUPAC name of N-octyl-N-(1-phosphanylethyl)octan-1-amine?
The IUPAC name of N-octyl-N-(1-phosphanylethyl)octan-1-amine (CID 21437049) is N-octyl-N-(1-phosphanylethyl)octan-1-amine.
What is the SMILES notation for N-octyl-N-(1-phosphanylethyl)octan-1-amine?
The canonical SMILES for N-octyl-N-(1-phosphanylethyl)octan-1-amine is CCCCCCCCN(CCCCCCCC)C(C)P.
What is the InChIKey of N-octyl-N-(1-phosphanylethyl)octan-1-amine?
The InChIKey is AZEDZACAGHDNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40NP/c1-4-6-8-10-12-14-16-19(18(3)20)17-15-13-11-9-7-5-2/h18H,4-17,20H2,1-3H3.
What are the key properties of N-octyl-N-(1-phosphanylethyl)octan-1-amine?
N-octyl-N-(1-phosphanylethyl)octan-1-amine has a molecular weight of 301.50 g/mol, XLogP of 6.23, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-octyl-N-(1-phosphanylethyl)octan-1-amine is sourced from PubChem (CID 21437049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).