N'-(3-cyclopropylbutyl)-N-propylpropane-1,3-diamine

C13H28N2 — CID 91380208

IUPACN'-(3-cyclopropylbutyl)-N-propylpropane-1,3-diamine
SMILESCCCNCCCNCCC(C)C1CC1
InChIInChI=1S/C13H28N2/c1-3-8-14-9-4-10-15-11-7-12(2)13-5-6-13/h12-15H,3-11H2,1-2H3
InChIKeyOXDUWDJVTFKGDQ-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.40
Rot. Bonds10

About N'-(3-cyclopropylbutyl)-N-propylpropane-1,3-diamine

N'-(3-cyclopropylbutyl)-N-propylpropane-1,3-diamine (PubChem CID 91380208) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N'-(3-cyclopropylbutyl)-N-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(3-cyclopropylbutyl)-N-propylpropane-1,3-diamine
PubChem CID91380208
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN'-(3-cyclopropylbutyl)-N-propylpropane-1,3-diamine
SMILESCCCNCCCNCCC(C)C1CC1
InChIInChI=1S/C13H28N2/c1-3-8-14-9-4-10-15-11-7-12(2)13-5-6-13/h12-15H,3-11H2,1-2H3
InChIKeyOXDUWDJVTFKGDQ-UHFFFAOYSA-N
XLogP2.40
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3-Propanediamine, N1-(2-ethylhexyl)-
CID 114486
N-ethyl-N'-[[2-[[3-(ethylamino)propylamino]methyl]cyclopropyl]methyl]propane-1,3-diamine
CID 9888124
N'-[3-(4-cyclopropylbutylamino)propyl]butane-1,4-diamine;hydrochloride
CID 45261838
N-(4-Methylheptan-2-yl)cyclopropanamine
CID 27732
11-[(Cyclopropyl)methyl]-4,8-diazaundecane
CID 129652825
N-ethyl-2-propylpentan-1-amine
CID 104444
N-Butyl-2-ethylhexylamine
CID 108563
2-Ethyl-N-propylhexylamine
CID 6455076
N,2-Diethylhexan-1-amine
CID 14272988
2-cyclopropyl-3-methyl-N-(2,2,2-trifluoroethyl)butan-1-amine
CID 155356695
N-(2-fluoroethyl)-3-propan-2-ylhexan-1-amine
CID 171506558
2-fluoro-N'-(5-methylhexyl)propane-1,3-diamine
CID 176836483

Frequently Asked Questions

What is the IUPAC name of N'-(3-cyclopropylbutyl)-N-propylpropane-1,3-diamine?
The IUPAC name of N'-(3-cyclopropylbutyl)-N-propylpropane-1,3-diamine (CID 91380208) is N'-(3-cyclopropylbutyl)-N-propylpropane-1,3-diamine.
What is the SMILES notation for N'-(3-cyclopropylbutyl)-N-propylpropane-1,3-diamine?
The canonical SMILES for N'-(3-cyclopropylbutyl)-N-propylpropane-1,3-diamine is CCCNCCCNCCC(C)C1CC1.
What is the InChIKey of N'-(3-cyclopropylbutyl)-N-propylpropane-1,3-diamine?
The InChIKey is OXDUWDJVTFKGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-3-8-14-9-4-10-15-11-7-12(2)13-5-6-13/h12-15H,3-11H2,1-2H3.
What are the key properties of N'-(3-cyclopropylbutyl)-N-propylpropane-1,3-diamine?
N'-(3-cyclopropylbutyl)-N-propylpropane-1,3-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.40, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-cyclopropylbutyl)-N-propylpropane-1,3-diamine is sourced from PubChem (CID 91380208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).