N-cyclopropyl-N'-ethyl-N'-propylpropane-1,3-diamine

C11H24N2 — CID 60867670

IUPACN-cyclopropyl-N'-ethyl-N'-propylpropane-1,3-diamine
SMILESCCCN(CC)CCCNC1CC1
InChIInChI=1S/C11H24N2/c1-3-9-13(4-2)10-5-8-12-11-6-7-11/h11-12H,3-10H2,1-2H3
InChIKeyATQPRCUBJJGXBM-UHFFFAOYSA-N
MW184.33 g/mol
LogP1.86
Rot. Bonds8

About N-cyclopropyl-N'-ethyl-N'-propylpropane-1,3-diamine

N-cyclopropyl-N'-ethyl-N'-propylpropane-1,3-diamine (PubChem CID 60867670) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is N-cyclopropyl-N'-ethyl-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N'-ethyl-N'-propylpropane-1,3-diamine
PubChem CID60867670
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC NameN-cyclopropyl-N'-ethyl-N'-propylpropane-1,3-diamine
SMILESCCCN(CC)CCCNC1CC1
InChIInChI=1S/C11H24N2/c1-3-9-13(4-2)10-5-8-12-11-6-7-11/h11-12H,3-10H2,1-2H3
InChIKeyATQPRCUBJJGXBM-UHFFFAOYSA-N
XLogP1.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-N',N'-diethylpropane-1,3-diamine
CID 60866749
2-[3-(cyclopropylamino)propyl-ethylamino]ethanol
CID 61387148
N-cyclopropyl-N',N'-diethylpentane-1,5-diamine
CID 62438484
N',N'-diethyl-N-[4-(trifluoromethyl)cyclohexyl]propane-1,3-diamine
CID 64756068
N',N'-diethyl-N-(4-propylcycloheptyl)propane-1,3-diamine
CID 65087423
N',N'-dibutyl-N-cyclopentylpropane-1,3-diamine
CID 55087820
N'-butyl-N-cycloheptyl-N'-ethylethane-1,2-diamine
CID 62575467
1-[3-(cyclopropylamino)propyl-(2-hydroxypropyl)amino]propan-2-ol
CID 149151323
N-cyclopropyl-N'-ethyl-N'-(2-methoxyethyl)ethane-1,2-diamine
CID 61446699
4-[3-(diethylamino)propylamino]piperidine-1-carboxamide
CID 43763196
N'-benzyl-N-cyclopropyl-N'-ethylpentane-1,5-diamine
CID 62419273
N-(4-chlorocyclohexyl)-N',N'-diethylethane-1,2-diamine
CID 107913675

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-ethyl-N'-propylpropane-1,3-diamine?
The IUPAC name of N-cyclopropyl-N'-ethyl-N'-propylpropane-1,3-diamine (CID 60867670) is N-cyclopropyl-N'-ethyl-N'-propylpropane-1,3-diamine.
What is the SMILES notation for N-cyclopropyl-N'-ethyl-N'-propylpropane-1,3-diamine?
The canonical SMILES for N-cyclopropyl-N'-ethyl-N'-propylpropane-1,3-diamine is CCCN(CC)CCCNC1CC1.
What is the InChIKey of N-cyclopropyl-N'-ethyl-N'-propylpropane-1,3-diamine?
The InChIKey is ATQPRCUBJJGXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-3-9-13(4-2)10-5-8-12-11-6-7-11/h11-12H,3-10H2,1-2H3.
What are the key properties of N-cyclopropyl-N'-ethyl-N'-propylpropane-1,3-diamine?
N-cyclopropyl-N'-ethyl-N'-propylpropane-1,3-diamine has a molecular weight of 184.33 g/mol, XLogP of 1.86, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-ethyl-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 60867670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).