N'-cyclopentyl-N'-ethyl-2-propan-2-ylpropane-1,3-diamine

C13H28N2 — CID 65228278

IUPACN'-cyclopentyl-N'-ethyl-2-propan-2-ylpropane-1,3-diamine
SMILESCCN(CC(CN)C(C)C)C1CCCC1
InChIInChI=1S/C13H28N2/c1-4-15(13-7-5-6-8-13)10-12(9-14)11(2)3/h11-13H,4-10,14H2,1-3H3
InChIKeyKEQCMTJCMGTUQI-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.48
Rot. Bonds6

About N'-cyclopentyl-N'-ethyl-2-propan-2-ylpropane-1,3-diamine

N'-cyclopentyl-N'-ethyl-2-propan-2-ylpropane-1,3-diamine (PubChem CID 65228278) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N'-cyclopentyl-N'-ethyl-2-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclopentyl-N'-ethyl-2-propan-2-ylpropane-1,3-diamine
PubChem CID65228278
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN'-cyclopentyl-N'-ethyl-2-propan-2-ylpropane-1,3-diamine
SMILESCCN(CC(CN)C(C)C)C1CCCC1
InChIInChI=1S/C13H28N2/c1-4-15(13-7-5-6-8-13)10-12(9-14)11(2)3/h11-13H,4-10,14H2,1-3H3
InChIKeyKEQCMTJCMGTUQI-UHFFFAOYSA-N
XLogP2.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-3-[cyclopentyl(ethyl)amino]propan-2-ol
CID 43541005
N'-butyl-N'-cyclopropyl-2-propan-2-ylpropane-1,3-diamine
CID 65233123
N'-cyclopropyl-2-propan-2-yl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 65233366
1-N-cyclopentyl-1-N-ethyl-4-methylpentane-1,2-diamine
CID 43541297
1-N-cyclohexyl-1-N-ethylbutane-1,2-diamine
CID 43649724
N',1-dicyclopentyl-N'-ethylethane-1,2-diamine
CID 104744779
1-cyclohexyl-N'-cyclopentyl-N'-ethylethane-1,2-diamine
CID 104744777
N,N-diethylcycloundecanamine
CID 163828609
1-[cyclopentyl(ethyl)amino]butan-2-ol
CID 60886562
N'-methyl-N'-(4-methylcyclohexyl)-2-propan-2-ylpropane-1,3-diamine
CID 65232760
N'-(cyclopropylmethyl)-N'-ethyl-2-propan-2-ylpropane-1,3-diamine
CID 65233035
3-[cyclohexyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 43367909

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N'-ethyl-2-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-cyclopentyl-N'-ethyl-2-propan-2-ylpropane-1,3-diamine (CID 65228278) is N'-cyclopentyl-N'-ethyl-2-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-cyclopentyl-N'-ethyl-2-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-cyclopentyl-N'-ethyl-2-propan-2-ylpropane-1,3-diamine is CCN(CC(CN)C(C)C)C1CCCC1.
What is the InChIKey of N'-cyclopentyl-N'-ethyl-2-propan-2-ylpropane-1,3-diamine?
The InChIKey is KEQCMTJCMGTUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-4-15(13-7-5-6-8-13)10-12(9-14)11(2)3/h11-13H,4-10,14H2,1-3H3.
What are the key properties of N'-cyclopentyl-N'-ethyl-2-propan-2-ylpropane-1,3-diamine?
N'-cyclopentyl-N'-ethyl-2-propan-2-ylpropane-1,3-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N'-ethyl-2-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 65228278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).