4-N-cyclopropyl-1-N,1-N-diethylpentane-1,4-diamine

C12H26N2 — CID 103438826

IUPAC4-N-cyclopropyl-1-N,1-N-diethylpentane-1,4-diamine
SMILESCCN(CC)CCCC(C)NC1CC1
InChIInChI=1S/C12H26N2/c1-4-14(5-2)10-6-7-11(3)13-12-8-9-12/h11-13H,4-10H2,1-3H3
InChIKeyDAVPKKLBWFCEEG-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.25
Rot. Bonds8

About 4-N-cyclopropyl-1-N,1-N-diethylpentane-1,4-diamine

4-N-cyclopropyl-1-N,1-N-diethylpentane-1,4-diamine (PubChem CID 103438826) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 4-N-cyclopropyl-1-N,1-N-diethylpentane-1,4-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-1-N,1-N-diethylpentane-1,4-diamine
PubChem CID103438826
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name4-N-cyclopropyl-1-N,1-N-diethylpentane-1,4-diamine
SMILESCCN(CC)CCCC(C)NC1CC1
InChIInChI=1S/C12H26N2/c1-4-14(5-2)10-6-7-11(3)13-12-8-9-12/h11-13H,4-10H2,1-3H3
InChIKeyDAVPKKLBWFCEEG-UHFFFAOYSA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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

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Related Compounds

1-N,1-N-diethyl-4-N-[4-(trifluoromethyl)cyclohexyl]pentane-1,4-diamine
CID 64754640
4-[5-(diethylamino)pentan-2-ylamino]azepan-2-one
CID 63904078
4-N-(dicyclopropylmethyl)-1-N,1-N-diethylpentane-1,4-diamine
CID 43362773
4-N-(2-adamantyl)-1-N,1-N-diethylpentane-1,4-diamine
CID 43406667
4-N-(1-cyclohexylethyl)-1-N,1-N-diethylpentane-1,4-diamine
CID 43761162
1-N,1-N-diethyl-4-N-(2-methylthian-3-yl)pentane-1,4-diamine
CID 79956626
1-N,1-N-diethyl-4-N-(2-methoxycyclohexyl)pentane-1,4-diamine
CID 43761171
2-[5-(diethylamino)pentan-2-ylamino]cyclohexane-1-carbonitrile
CID 62741280
N,N-diethyl-4-hydrazinylpentan-1-amine
CID 143055875
2-(cyclopropylamino)-N-[5-(diethylamino)pentan-2-yl]ethanesulfonamide
CID 106059732
4-N-(1-benzylpiperidin-3-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 113222336
4-N-[2-(diethylamino)ethyl]-1-N,1-N-diethylpentane-1,4-diamine
CID 43199211

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-1-N,1-N-diethylpentane-1,4-diamine?
The IUPAC name of 4-N-cyclopropyl-1-N,1-N-diethylpentane-1,4-diamine (CID 103438826) is 4-N-cyclopropyl-1-N,1-N-diethylpentane-1,4-diamine.
What is the SMILES notation for 4-N-cyclopropyl-1-N,1-N-diethylpentane-1,4-diamine?
The canonical SMILES for 4-N-cyclopropyl-1-N,1-N-diethylpentane-1,4-diamine is CCN(CC)CCCC(C)NC1CC1.
What is the InChIKey of 4-N-cyclopropyl-1-N,1-N-diethylpentane-1,4-diamine?
The InChIKey is DAVPKKLBWFCEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-4-14(5-2)10-6-7-11(3)13-12-8-9-12/h11-13H,4-10H2,1-3H3.
What are the key properties of 4-N-cyclopropyl-1-N,1-N-diethylpentane-1,4-diamine?
4-N-cyclopropyl-1-N,1-N-diethylpentane-1,4-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.25, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-1-N,1-N-diethylpentane-1,4-diamine is sourced from PubChem (CID 103438826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).