bis(N,N-dipropylpropan-1-amine);heptan-1-ol

C25H58N2O — CID 87768576

IUPACbis(N,N-dipropylpropan-1-amine);heptan-1-ol
SMILESCCCCCCCO.CCCN(CCC)CCC.CCCN(CCC)CCC
InChIInChI=1S/2C9H21N.C7H16O/c2*1-4-7-10(8-5-2)9-6-3;1-2-3-4-5-6-7-8/h2*4-9H2,1-3H3;8H,2-7H2,1H3
InChIKeyGBGHYIOYVVEJAB-UHFFFAOYSA-N
MW402.75 g/mol
LogP6.99
Rot. Bonds17

About bis(N,N-dipropylpropan-1-amine);heptan-1-ol

bis(N,N-dipropylpropan-1-amine);heptan-1-ol (PubChem CID 87768576) has the molecular formula C25H58N2O and a molecular weight of 402.75 g/mol. Its IUPAC name is bis(N,N-dipropylpropan-1-amine);heptan-1-ol.

Molecular Properties

Compound Namebis(N,N-dipropylpropan-1-amine);heptan-1-ol
PubChem CID87768576
Molecular FormulaC25H58N2O
Molecular Weight402.75 g/mol
Exact Mass402.45
IUPAC Namebis(N,N-dipropylpropan-1-amine);heptan-1-ol
SMILESCCCCCCCO.CCCN(CCC)CCC.CCCN(CCC)CCC
InChIInChI=1S/2C9H21N.C7H16O/c2*1-4-7-10(8-5-2)9-6-3;1-2-3-4-5-6-7-8/h2*4-9H2,1-3H3;8H,2-7H2,1H3
InChIKeyGBGHYIOYVVEJAB-UHFFFAOYSA-N
XLogP6.99
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.75
LogP ≤ 56.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[decyl(propyl)amino]propan-1-ol
CID 13122229
13-[13-hydroxytridecyl(undecyl)amino]tridecan-1-ol
CID 102118007
6-[hexadecyl(6-hydroxyhexyl)amino]hexan-1-ol
CID 154641692
6-[6-hydroxyhexyl(propyl)amino]hexan-1-ol
CID 87112073
N,N-didodecyldodecan-1-amine;hexan-1-ol
CID 90010873
11-[dodecyl(11-hydroxyundecyl)amino]undecan-1-ol
CID 102118011
13-[13-hydroxytridecyl(tetradecyl)amino]tridecan-1-ol
CID 102118025
10-[hexyl(10-hydroxydecyl)amino]decan-1-ol
CID 102117974
12-[12-hydroxydodecyl(octyl)amino]dodecan-1-ol
CID 102117988
5-(dihexylamino)pentan-1-ol
CID 22218544
4-[4-hydroxybutyl(propyl)amino]butan-1-ol
CID 22184075
dodecan-1-ol;ethane
CID 87449114

Frequently Asked Questions

What is the IUPAC name of bis(N,N-dipropylpropan-1-amine);heptan-1-ol?
The IUPAC name of bis(N,N-dipropylpropan-1-amine);heptan-1-ol (CID 87768576) is bis(N,N-dipropylpropan-1-amine);heptan-1-ol.
What is the SMILES notation for bis(N,N-dipropylpropan-1-amine);heptan-1-ol?
The canonical SMILES for bis(N,N-dipropylpropan-1-amine);heptan-1-ol is CCCCCCCO.CCCN(CCC)CCC.CCCN(CCC)CCC.
What is the InChIKey of bis(N,N-dipropylpropan-1-amine);heptan-1-ol?
The InChIKey is GBGHYIOYVVEJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H21N.C7H16O/c2*1-4-7-10(8-5-2)9-6-3;1-2-3-4-5-6-7-8/h2*4-9H2,1-3H3;8H,2-7H2,1H3.
What are the key properties of bis(N,N-dipropylpropan-1-amine);heptan-1-ol?
bis(N,N-dipropylpropan-1-amine);heptan-1-ol has a molecular weight of 402.75 g/mol, XLogP of 6.99, 17 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N,N-dipropylpropan-1-amine);heptan-1-ol is sourced from PubChem (CID 87768576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).