N-cyclopropyl-N',N'-diethylpentane-1,5-diamine

C12H26N2 — CID 62438484

IUPACN-cyclopropyl-N',N'-diethylpentane-1,5-diamine
SMILESCCN(CC)CCCCCNC1CC1
InChIInChI=1S/C12H26N2/c1-3-14(4-2)11-7-5-6-10-13-12-8-9-12/h12-13H,3-11H2,1-2H3
InChIKeyUEGALHWBOKIACR-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.25
Rot. Bonds9

About N-cyclopropyl-N',N'-diethylpentane-1,5-diamine

N-cyclopropyl-N',N'-diethylpentane-1,5-diamine (PubChem CID 62438484) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N-cyclopropyl-N',N'-diethylpentane-1,5-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N',N'-diethylpentane-1,5-diamine
PubChem CID62438484
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN-cyclopropyl-N',N'-diethylpentane-1,5-diamine
SMILESCCN(CC)CCCCCNC1CC1
InChIInChI=1S/C12H26N2/c1-3-14(4-2)11-7-5-6-10-13-12-8-9-12/h12-13H,3-11H2,1-2H3
InChIKeyUEGALHWBOKIACR-UHFFFAOYSA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.25
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
N-cyclopropyl-N'-ethyl-N'-propylpropane-1,3-diamine
CID 60867670
N'-benzyl-N-cyclopropyl-N'-ethylpentane-1,5-diamine
CID 62419273
2-[3-(cyclopropylamino)propyl-ethylamino]ethanol
CID 61387148
N',N'-diethyl-N-[4-(trifluoromethyl)cyclohexyl]propane-1,3-diamine
CID 64756068
N-cyclopropyl-N',N'-bis(2-ethoxyethyl)hexane-1,6-diamine
CID 82940250
N,N'-dicyclopropyloctane-1,8-diamine
CID 66337537
N',N'-diethyl-N-(4-propylcycloheptyl)propane-1,3-diamine
CID 65087423
N'-cyclohexyl-N-cyclopropyl-N'-ethylpentane-1,5-diamine
CID 62425580
N-(4-chlorocyclohexyl)-N',N'-diethylethane-1,2-diamine
CID 107913675
N-cyclopropyl-N'-methyl-N'-pentylbutane-1,4-diamine
CID 62420379
N,N'-dicyclopropyl-N'-propylpentane-1,5-diamine
CID 62420672

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N',N'-diethylpentane-1,5-diamine?
The IUPAC name of N-cyclopropyl-N',N'-diethylpentane-1,5-diamine (CID 62438484) is N-cyclopropyl-N',N'-diethylpentane-1,5-diamine.
What is the SMILES notation for N-cyclopropyl-N',N'-diethylpentane-1,5-diamine?
The canonical SMILES for N-cyclopropyl-N',N'-diethylpentane-1,5-diamine is CCN(CC)CCCCCNC1CC1.
What is the InChIKey of N-cyclopropyl-N',N'-diethylpentane-1,5-diamine?
The InChIKey is UEGALHWBOKIACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-3-14(4-2)11-7-5-6-10-13-12-8-9-12/h12-13H,3-11H2,1-2H3.
What are the key properties of N-cyclopropyl-N',N'-diethylpentane-1,5-diamine?
N-cyclopropyl-N',N'-diethylpentane-1,5-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.25, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N',N'-diethylpentane-1,5-diamine is sourced from PubChem (CID 62438484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).