4-N-(1-cyclohexylethyl)-1-N,1-N-diethylpentane-1,4-diamine

C17H36N2 — CID 43761162

IUPAC4-N-(1-cyclohexylethyl)-1-N,1-N-diethylpentane-1,4-diamine
SMILESCCN(CC)CCCC(C)NC(C)C1CCCCC1
InChIInChI=1S/C17H36N2/c1-5-19(6-2)14-10-11-15(3)18-16(4)17-12-8-7-9-13-17/h15-18H,5-14H2,1-4H3
InChIKeyRTDKTXHFCYSDHS-UHFFFAOYSA-N
MW268.49 g/mol
LogP4.06
Rot. Bonds9

About 4-N-(1-cyclohexylethyl)-1-N,1-N-diethylpentane-1,4-diamine

4-N-(1-cyclohexylethyl)-1-N,1-N-diethylpentane-1,4-diamine (PubChem CID 43761162) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 4-N-(1-cyclohexylethyl)-1-N,1-N-diethylpentane-1,4-diamine.

Molecular Properties

Compound Name4-N-(1-cyclohexylethyl)-1-N,1-N-diethylpentane-1,4-diamine
PubChem CID43761162
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name4-N-(1-cyclohexylethyl)-1-N,1-N-diethylpentane-1,4-diamine
SMILESCCN(CC)CCCC(C)NC(C)C1CCCCC1
InChIInChI=1S/C17H36N2/c1-5-19(6-2)14-10-11-15(3)18-16(4)17-12-8-7-9-13-17/h15-18H,5-14H2,1-4H3
InChIKeyRTDKTXHFCYSDHS-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-cycloheptylethyl]heptan-2-amine
CID 81390133
4-N-(dicyclopropylmethyl)-1-N,1-N-diethylpentane-1,4-diamine
CID 43362773
(4R)-4-[[(1R)-1-cyclohexylethyl]amino]pentan-1-ol
CID 97051641
N-cyclohexyl-2-[5-(diethylamino)pentan-2-ylamino]acetamide
CID 43179866
4-N-cyclopropyl-1-N,1-N-diethylpentane-1,4-diamine
CID 103438826
N-(1-cyclopropylethyl)hexan-2-amine
CID 43776552
N-[(1R)-1-cycloheptylethyl]-1-ethylsulfonylpropan-2-amine
CID 104584284
4-N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-N,1-N-diethylpentane-1,4-diamine
CID 43761165
N-[(1R)-1-cyclohexylethyl]-1-ethoxypropan-2-amine
CID 104866870
N-[(1R)-1-cyclohexylethyl]-5,5-dimethylhexan-2-amine
CID 114279938
1-cyclohexyl-N-(1-cyclopentylethyl)ethanamine
CID 62633016
N-[(1S)-1-cyclopentylethyl]-4-methoxybutan-2-amine
CID 81385535

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-cyclohexylethyl)-1-N,1-N-diethylpentane-1,4-diamine?
The IUPAC name of 4-N-(1-cyclohexylethyl)-1-N,1-N-diethylpentane-1,4-diamine (CID 43761162) is 4-N-(1-cyclohexylethyl)-1-N,1-N-diethylpentane-1,4-diamine.
What is the SMILES notation for 4-N-(1-cyclohexylethyl)-1-N,1-N-diethylpentane-1,4-diamine?
The canonical SMILES for 4-N-(1-cyclohexylethyl)-1-N,1-N-diethylpentane-1,4-diamine is CCN(CC)CCCC(C)NC(C)C1CCCCC1.
What is the InChIKey of 4-N-(1-cyclohexylethyl)-1-N,1-N-diethylpentane-1,4-diamine?
The InChIKey is RTDKTXHFCYSDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-5-19(6-2)14-10-11-15(3)18-16(4)17-12-8-7-9-13-17/h15-18H,5-14H2,1-4H3.
What are the key properties of 4-N-(1-cyclohexylethyl)-1-N,1-N-diethylpentane-1,4-diamine?
4-N-(1-cyclohexylethyl)-1-N,1-N-diethylpentane-1,4-diamine has a molecular weight of 268.49 g/mol, XLogP of 4.06, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-cyclohexylethyl)-1-N,1-N-diethylpentane-1,4-diamine is sourced from PubChem (CID 43761162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).