1-phosphanyl-N,N,N',N'-tetrakis(prop-2-enyl)pentane-1,5-diamine

C17H31N2P — CID 87749302

IUPAC1-phosphanyl-N,N,N',N'-tetrakis(prop-2-enyl)pentane-1,5-diamine
SMILESC=CCN(CC=C)CCCCC(P)N(CC=C)CC=C
InChIInChI=1S/C17H31N2P/c1-5-12-18(13-6-2)16-10-9-11-17(20)19(14-7-3)15-8-4/h5-8,17H,1-4,9-16,20H2
InChIKeyHPQBCKXCVYBXDL-UHFFFAOYSA-N
MW294.42 g/mol
LogP3.71
Rot. Bonds14

About 1-phosphanyl-N,N,N',N'-tetrakis(prop-2-enyl)pentane-1,5-diamine

1-phosphanyl-N,N,N',N'-tetrakis(prop-2-enyl)pentane-1,5-diamine (PubChem CID 87749302) has the molecular formula C17H31N2P and a molecular weight of 294.42 g/mol. Its IUPAC name is 1-phosphanyl-N,N,N',N'-tetrakis(prop-2-enyl)pentane-1,5-diamine.

Molecular Properties

Compound Name1-phosphanyl-N,N,N',N'-tetrakis(prop-2-enyl)pentane-1,5-diamine
PubChem CID87749302
Molecular FormulaC17H31N2P
Molecular Weight294.42 g/mol
Exact Mass294.22
IUPAC Name1-phosphanyl-N,N,N',N'-tetrakis(prop-2-enyl)pentane-1,5-diamine
SMILESC=CCN(CC=C)CCCCC(P)N(CC=C)CC=C
InChIInChI=1S/C17H31N2P/c1-5-12-18(13-6-2)16-10-9-11-17(20)19(14-7-3)15-8-4/h5-8,17H,1-4,9-16,20H2
InChIKeyHPQBCKXCVYBXDL-UHFFFAOYSA-N
XLogP3.71
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

17-methyl-N,N-bis(prop-2-enyl)octadecan-1-amine
CID 153323373
N,N-bis(prop-2-enyl)undecan-1-amine
CID 10156078
N,N-bis(prop-2-enyl)octadecan-1-amine;hydrochloride
CID 88725807
4-[4-hydroxybutyl(prop-2-enyl)amino]butan-1-ol
CID 87378089
1-N-propan-2-yl-1-N-prop-2-enylhexane-1,5-diamine
CID 82854057
6-[6-hydroxyhexyl(prop-2-enyl)amino]hexan-1-ol
CID 87378049
N,N-bis(prop-2-enyl)hexadecan-1-amine;N-prop-2-enylprop-2-en-1-amine
CID 174680920
N',N'-bis(prop-2-enyl)-N-propylbutane-1,4-diamine
CID 62437868
N-(2-fluoroethyl)-N-prop-2-enylprop-2-en-1-amine
CID 130701613
N-tert-butyl-N',N'-bis(prop-2-enyl)pentane-1,5-diamine
CID 62440076
2-[3-[bis(prop-2-enyl)amino]propylamino]ethanol
CID 54201266
3-bromo-N-propan-2-yl-N-prop-2-enylpropan-1-amine
CID 80680289

Frequently Asked Questions

What is the IUPAC name of 1-phosphanyl-N,N,N',N'-tetrakis(prop-2-enyl)pentane-1,5-diamine?
The IUPAC name of 1-phosphanyl-N,N,N',N'-tetrakis(prop-2-enyl)pentane-1,5-diamine (CID 87749302) is 1-phosphanyl-N,N,N',N'-tetrakis(prop-2-enyl)pentane-1,5-diamine.
What is the SMILES notation for 1-phosphanyl-N,N,N',N'-tetrakis(prop-2-enyl)pentane-1,5-diamine?
The canonical SMILES for 1-phosphanyl-N,N,N',N'-tetrakis(prop-2-enyl)pentane-1,5-diamine is C=CCN(CC=C)CCCCC(P)N(CC=C)CC=C.
What is the InChIKey of 1-phosphanyl-N,N,N',N'-tetrakis(prop-2-enyl)pentane-1,5-diamine?
The InChIKey is HPQBCKXCVYBXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N2P/c1-5-12-18(13-6-2)16-10-9-11-17(20)19(14-7-3)15-8-4/h5-8,17H,1-4,9-16,20H2.
What are the key properties of 1-phosphanyl-N,N,N',N'-tetrakis(prop-2-enyl)pentane-1,5-diamine?
1-phosphanyl-N,N,N',N'-tetrakis(prop-2-enyl)pentane-1,5-diamine has a molecular weight of 294.42 g/mol, XLogP of 3.71, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phosphanyl-N,N,N',N'-tetrakis(prop-2-enyl)pentane-1,5-diamine is sourced from PubChem (CID 87749302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).