N-cyclopropyl-N',N'-diethylpropane-1,3-diamine

C10H22N2 — CID 60866749

IUPACN-cyclopropyl-N',N'-diethylpropane-1,3-diamine
SMILESCCN(CC)CCCNC1CC1
InChIInChI=1S/C10H22N2/c1-3-12(4-2)9-5-8-11-10-6-7-10/h10-11H,3-9H2,1-2H3
InChIKeyPRXMYTIKQHVBPR-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.47
Rot. Bonds7

About N-cyclopropyl-N',N'-diethylpropane-1,3-diamine

N-cyclopropyl-N',N'-diethylpropane-1,3-diamine (PubChem CID 60866749) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is N-cyclopropyl-N',N'-diethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N',N'-diethylpropane-1,3-diamine
PubChem CID60866749
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC NameN-cyclopropyl-N',N'-diethylpropane-1,3-diamine
SMILESCCN(CC)CCCNC1CC1
InChIInChI=1S/C10H22N2/c1-3-12(4-2)9-5-8-11-10-6-7-10/h10-11H,3-9H2,1-2H3
InChIKeyPRXMYTIKQHVBPR-UHFFFAOYSA-N
XLogP1.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.47
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'-diethylpentane-1,5-diamine
CID 62438484
N-cyclopropyl-N'-ethyl-N'-propylpropane-1,3-diamine
CID 60867670
2-[3-(cyclopropylamino)propyl-ethylamino]ethanol
CID 61387148
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-(4-chlorocyclohexyl)-N',N'-diethylethane-1,2-diamine
CID 107913675
4-[3-(diethylamino)propylamino]piperidine-1-carboxamide
CID 43763196
3-(cyclopropylamino)-N-[2-(diethylamino)ethyl]propane-1-sulfonamide
CID 114139088
N',N'-diethyl-N-(5-methylthiolan-3-yl)propane-1,3-diamine
CID 79941874
1-[3-(cyclopropylamino)propyl-(2-hydroxypropyl)amino]propan-2-ol
CID 149151323
N'-benzyl-N-cyclopropyl-N'-ethylpentane-1,5-diamine
CID 62419273

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N',N'-diethylpropane-1,3-diamine?
The IUPAC name of N-cyclopropyl-N',N'-diethylpropane-1,3-diamine (CID 60866749) is N-cyclopropyl-N',N'-diethylpropane-1,3-diamine.
What is the SMILES notation for N-cyclopropyl-N',N'-diethylpropane-1,3-diamine?
The canonical SMILES for N-cyclopropyl-N',N'-diethylpropane-1,3-diamine is CCN(CC)CCCNC1CC1.
What is the InChIKey of N-cyclopropyl-N',N'-diethylpropane-1,3-diamine?
The InChIKey is PRXMYTIKQHVBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-3-12(4-2)9-5-8-11-10-6-7-10/h10-11H,3-9H2,1-2H3.
What are the key properties of N-cyclopropyl-N',N'-diethylpropane-1,3-diamine?
N-cyclopropyl-N',N'-diethylpropane-1,3-diamine has a molecular weight of 170.30 g/mol, XLogP of 1.47, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N',N'-diethylpropane-1,3-diamine is sourced from PubChem (CID 60866749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).