4-heptyl-N,N-bis(phosphanyl)aniline

C13H23NP2 — CID 169286189

IUPAC4-heptyl-N,N-bis(phosphanyl)aniline
SMILESCCCCCCCc1ccc(N(P)P)cc1
InChIInChI=1S/C13H23NP2/c1-2-3-4-5-6-7-12-8-10-13(11-9-12)14(15)16/h8-11H,2-7,15-16H2,1H3
InChIKeyFOLHLUCQZUHGIU-UHFFFAOYSA-N
MW255.28 g/mol
LogP4.59
Rot. Bonds7

About 4-heptyl-N,N-bis(phosphanyl)aniline

4-heptyl-N,N-bis(phosphanyl)aniline (PubChem CID 169286189) has the molecular formula C13H23NP2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 4-heptyl-N,N-bis(phosphanyl)aniline.

Molecular Properties

Compound Name4-heptyl-N,N-bis(phosphanyl)aniline
PubChem CID169286189
Molecular FormulaC13H23NP2
Molecular Weight255.28 g/mol
Exact Mass255.13
IUPAC Name4-heptyl-N,N-bis(phosphanyl)aniline
SMILESCCCCCCCc1ccc(N(P)P)cc1
InChIInChI=1S/C13H23NP2/c1-2-3-4-5-6-7-12-8-10-13(11-9-12)14(15)16/h8-11H,2-7,15-16H2,1H3
InChIKeyFOLHLUCQZUHGIU-UHFFFAOYSA-N
XLogP4.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 54.59
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'}

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Related Compounds

4-nonyl-N,N-bis(phosphanyl)aniline
CID 169286153
1-N,1-N,4-N,4-N-tetrakis(4-octylphenyl)benzene-1,4-diamine
CID 59470455
4-heptyl-N,N-dimethylaniline
CID 20777180
1-butyl-4-nonylbenzene
CID 59545302
N,N-dichloro-4-hexylaniline
CID 87850897
N,N-diphenyl-4-tetradecylaniline
CID 170668082
1-N,4-N-bis(4-methylphenyl)-1-N,4-N-bis(4-octylphenyl)benzene-1,4-diamine
CID 58273977
4-hexyl-N,N-diphenylaniline
CID 20525221
4-octadecyl-N,N-diphenylaniline
CID 162035815
N,N-bis(phosphanyl)-4-(4-propylphenyl)aniline
CID 169286170
CID 59759292
CID 59759292
bis(4-hexylphenyl)tin
CID 177496129

Frequently Asked Questions

What is the IUPAC name of 4-heptyl-N,N-bis(phosphanyl)aniline?
The IUPAC name of 4-heptyl-N,N-bis(phosphanyl)aniline (CID 169286189) is 4-heptyl-N,N-bis(phosphanyl)aniline.
What is the SMILES notation for 4-heptyl-N,N-bis(phosphanyl)aniline?
The canonical SMILES for 4-heptyl-N,N-bis(phosphanyl)aniline is CCCCCCCc1ccc(N(P)P)cc1.
What is the InChIKey of 4-heptyl-N,N-bis(phosphanyl)aniline?
The InChIKey is FOLHLUCQZUHGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NP2/c1-2-3-4-5-6-7-12-8-10-13(11-9-12)14(15)16/h8-11H,2-7,15-16H2,1H3.
What are the key properties of 4-heptyl-N,N-bis(phosphanyl)aniline?
4-heptyl-N,N-bis(phosphanyl)aniline has a molecular weight of 255.28 g/mol, XLogP of 4.59, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-heptyl-N,N-bis(phosphanyl)aniline is sourced from PubChem (CID 169286189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).