6-(7-aminohept-1-en-2-ylamino)-1-phosphanylhexan-1-one

C13H27N2OP — CID 146330785

IUPAC6-(7-aminohept-1-en-2-ylamino)-1-phosphanylhexan-1-one
SMILESC=C(CCCCCN)NCCCCCC(=O)P
InChIInChI=1S/C13H27N2OP/c1-12(8-4-2-6-10-14)15-11-7-3-5-9-13(16)17/h15H,1-11,14,17H2
InChIKeyQVVVEVZAWCDIGR-UHFFFAOYSA-N
MW258.35 g/mol
LogP2.57
Rot. Bonds12

About 6-(7-aminohept-1-en-2-ylamino)-1-phosphanylhexan-1-one

6-(7-aminohept-1-en-2-ylamino)-1-phosphanylhexan-1-one (PubChem CID 146330785) has the molecular formula C13H27N2OP and a molecular weight of 258.35 g/mol. Its IUPAC name is 6-(7-aminohept-1-en-2-ylamino)-1-phosphanylhexan-1-one.

Molecular Properties

Compound Name6-(7-aminohept-1-en-2-ylamino)-1-phosphanylhexan-1-one
PubChem CID146330785
Molecular FormulaC13H27N2OP
Molecular Weight258.35 g/mol
Exact Mass258.19
IUPAC Name6-(7-aminohept-1-en-2-ylamino)-1-phosphanylhexan-1-one
SMILESC=C(CCCCCN)NCCCCCC(=O)P
InChIInChI=1S/C13H27N2OP/c1-12(8-4-2-6-10-14)15-11-7-3-5-9-13(16)17/h15H,1-11,14,17H2
InChIKeyQVVVEVZAWCDIGR-UHFFFAOYSA-N
XLogP2.57
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

5-N-[6-[[(3E)-penta-1,3-dien-2-yl]amino]hexyl]hex-5-ene-1,5-diamine
CID 146259458
6-amino-N-(7-aminoheptyl)hexanamide
CID 56980494
N,N'-bis(12-aminododecyl)octanediamide
CID 58602052
N,N'-bis(7-aminoheptyl)pentanediamide
CID 86136288
N-hexyloct-1-en-2-amine
CID 169110016
N-(8-aminooctyl)-2-methylprop-2-enamide
CID 86094836
13-amino-N-(6-aminohexyl)-6-oxotridecanamide
CID 157314658
6-amino-N-(5-amino-5-oxopentyl)hexanamide
CID 106235898
CID 170598419
CID 170598419
8-(8-aminooctanoylamino)octanoic acid
CID 16654921
15-(6-aminohexanoylamino)pentadecanoic acid
CID 170598253
N-(6-aminohexyl)carbamate;hexane-1,6-diamine;hydron;molecular hydrogen
CID 161491440

Frequently Asked Questions

What is the IUPAC name of 6-(7-aminohept-1-en-2-ylamino)-1-phosphanylhexan-1-one?
The IUPAC name of 6-(7-aminohept-1-en-2-ylamino)-1-phosphanylhexan-1-one (CID 146330785) is 6-(7-aminohept-1-en-2-ylamino)-1-phosphanylhexan-1-one.
What is the SMILES notation for 6-(7-aminohept-1-en-2-ylamino)-1-phosphanylhexan-1-one?
The canonical SMILES for 6-(7-aminohept-1-en-2-ylamino)-1-phosphanylhexan-1-one is C=C(CCCCCN)NCCCCCC(=O)P.
What is the InChIKey of 6-(7-aminohept-1-en-2-ylamino)-1-phosphanylhexan-1-one?
The InChIKey is QVVVEVZAWCDIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N2OP/c1-12(8-4-2-6-10-14)15-11-7-3-5-9-13(16)17/h15H,1-11,14,17H2.
What are the key properties of 6-(7-aminohept-1-en-2-ylamino)-1-phosphanylhexan-1-one?
6-(7-aminohept-1-en-2-ylamino)-1-phosphanylhexan-1-one has a molecular weight of 258.35 g/mol, XLogP of 2.57, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-aminohept-1-en-2-ylamino)-1-phosphanylhexan-1-one is sourced from PubChem (CID 146330785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).