5-butylnonan-5-amine;phosphoric acid

C13H32NO4P — CID 88962478

IUPAC5-butylnonan-5-amine;phosphoric acid
SMILESCCCCC(N)(CCCC)CCCC.O=P(O)(O)O
InChIInChI=1S/C13H29N.H3O4P/c1-4-7-10-13(14,11-8-5-2)12-9-6-3;1-5(2,3)4/h4-12,14H2,1-3H3;(H3,1,2,3,4)
InChIKeyKHMMQRKSWMNCGI-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.33
Rot. Bonds9

About 5-butylnonan-5-amine;phosphoric acid

5-butylnonan-5-amine;phosphoric acid (PubChem CID 88962478) has the molecular formula C13H32NO4P and a molecular weight of 297.38 g/mol. Its IUPAC name is 5-butylnonan-5-amine;phosphoric acid.

Molecular Properties

Compound Name5-butylnonan-5-amine;phosphoric acid
PubChem CID88962478
Molecular FormulaC13H32NO4P
Molecular Weight297.38 g/mol
Exact Mass297.21
IUPAC Name5-butylnonan-5-amine;phosphoric acid
SMILESCCCCC(N)(CCCC)CCCC.O=P(O)(O)O
InChIInChI=1S/C13H29N.H3O4P/c1-4-7-10-13(14,11-8-5-2)12-9-6-3;1-5(2,3)4/h4-12,14H2,1-3H3;(H3,1,2,3,4)
InChIKeyKHMMQRKSWMNCGI-UHFFFAOYSA-N
XLogP3.33
TPSA103.78 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-butylhexadecan-5-amine
CID 22244897
5,5-dibutylhexadecane;phosphoric acid
CID 175353536
11-decylhenicosan-11-amine
CID 19847882
3-ethylheptan-3-amine
CID 12708037
dodecane;phosphoric acid
CID 88801558
formic acid;9-octylheptadecan-9-amine
CID 173166613
13-dodecylpentacosan-13-amine;sulfuric acid
CID 173210525
8-heptylpentadecan-8-amine;sulfuric acid
CID 173205041
[3-amino-6-octadecoxy-3-(3-octadecoxypropyl)hexyl]phosphonic acid
CID 89155773
9-heptylheptadecan-9-amine;hydrochloride
CID 173435584
15-tetradecylnonacosan-15-amine;hydrochloride
CID 173325035
12-undecyltricosan-12-amine;hydrate
CID 173445536

Frequently Asked Questions

What is the IUPAC name of 5-butylnonan-5-amine;phosphoric acid?
The IUPAC name of 5-butylnonan-5-amine;phosphoric acid (CID 88962478) is 5-butylnonan-5-amine;phosphoric acid.
What is the SMILES notation for 5-butylnonan-5-amine;phosphoric acid?
The canonical SMILES for 5-butylnonan-5-amine;phosphoric acid is CCCCC(N)(CCCC)CCCC.O=P(O)(O)O.
What is the InChIKey of 5-butylnonan-5-amine;phosphoric acid?
The InChIKey is KHMMQRKSWMNCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N.H3O4P/c1-4-7-10-13(14,11-8-5-2)12-9-6-3;1-5(2,3)4/h4-12,14H2,1-3H3;(H3,1,2,3,4).
What are the key properties of 5-butylnonan-5-amine;phosphoric acid?
5-butylnonan-5-amine;phosphoric acid has a molecular weight of 297.38 g/mol, XLogP of 3.33, 9 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butylnonan-5-amine;phosphoric acid is sourced from PubChem (CID 88962478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).