N,N-dipentylpentan-1-amine;hydrate

C15H35NO — CID 156801056

IUPACN,N-dipentylpentan-1-amine;hydrate
SMILESCCCCCN(CCCCC)CCCCC.O
InChIInChI=1S/C15H33N.H2O/c1-4-7-10-13-16(14-11-8-5-2)15-12-9-6-3;/h4-15H2,1-3H3;1H2
InChIKeyOZIDPNYWVOEOIM-UHFFFAOYSA-N
MW245.45 g/mol
LogP4.03
Rot. Bonds12

About N,N-dipentylpentan-1-amine;hydrate

N,N-dipentylpentan-1-amine;hydrate (PubChem CID 156801056) has the molecular formula C15H35NO and a molecular weight of 245.45 g/mol. Its IUPAC name is N,N-dipentylpentan-1-amine;hydrate.

Molecular Properties

Compound NameN,N-dipentylpentan-1-amine;hydrate
PubChem CID156801056
Molecular FormulaC15H35NO
Molecular Weight245.45 g/mol
Exact Mass245.27
IUPAC NameN,N-dipentylpentan-1-amine;hydrate
SMILESCCCCCN(CCCCC)CCCCC.O
InChIInChI=1S/C15H33N.H2O/c1-4-7-10-13-16(14-11-8-5-2)15-12-9-6-3;/h4-15H2,1-3H3;1H2
InChIKeyOZIDPNYWVOEOIM-UHFFFAOYSA-N
XLogP4.03
TPSA34.74 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.45
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-dipentylpentadecan-1-amine
CID 139722952
N,N-didodecyltridecan-1-amine
CID 87212898
N,N-dioctyloctan-1-amine
CID 14227
N,N-dihexyloctan-1-amine
CID 21418080
N-docosyl-N-icosyldocosan-1-amine
CID 23464225
N,N-dipentylhexadecan-1-amine
CID 139723811
N,N,N',N'-tetra(undecyl)pentane-1,5-diamine
CID 152635971
N-pentadecyl-N-pentylpentadecan-1-amine
CID 139722928
N-heptadecyl-N-heptylheptadecan-1-amine
CID 139722683
N,N-didecyltridecan-1-amine
CID 139723202
N,N-dipentyltridecan-1-amine
CID 139723521
N,N'-didodecyl-N,N'-dioctylhexane-1,6-diamine
CID 154294870

Frequently Asked Questions

What is the IUPAC name of N,N-dipentylpentan-1-amine;hydrate?
The IUPAC name of N,N-dipentylpentan-1-amine;hydrate (CID 156801056) is N,N-dipentylpentan-1-amine;hydrate.
What is the SMILES notation for N,N-dipentylpentan-1-amine;hydrate?
The canonical SMILES for N,N-dipentylpentan-1-amine;hydrate is CCCCCN(CCCCC)CCCCC.O.
What is the InChIKey of N,N-dipentylpentan-1-amine;hydrate?
The InChIKey is OZIDPNYWVOEOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N.H2O/c1-4-7-10-13-16(14-11-8-5-2)15-12-9-6-3;/h4-15H2,1-3H3;1H2.
What are the key properties of N,N-dipentylpentan-1-amine;hydrate?
N,N-dipentylpentan-1-amine;hydrate has a molecular weight of 245.45 g/mol, XLogP of 4.03, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dipentylpentan-1-amine;hydrate is sourced from PubChem (CID 156801056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).