1-cyclopentyl-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine

C14H30N2 — CID 104745466

IUPAC1-cyclopentyl-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine
SMILESCC(C)CC(C)N(C)CC(N)C1CCCC1
InChIInChI=1S/C14H30N2/c1-11(2)9-12(3)16(4)10-14(15)13-7-5-6-8-13/h11-14H,5-10,15H2,1-4H3
InChIKeyAANFFSHFPAQVFU-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.87
Rot. Bonds6

About 1-cyclopentyl-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine

1-cyclopentyl-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine (PubChem CID 104745466) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 1-cyclopentyl-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopentyl-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine
PubChem CID104745466
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name1-cyclopentyl-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine
SMILESCC(C)CC(C)N(C)CC(N)C1CCCC1
InChIInChI=1S/C14H30N2/c1-11(2)9-12(3)16(4)10-14(15)13-7-5-6-8-13/h11-14H,5-10,15H2,1-4H3
InChIKeyAANFFSHFPAQVFU-UHFFFAOYSA-N
XLogP2.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-butan-2-yl-1-cyclopentyl-N'-methylethane-1,2-diamine
CID 104744720
1-cyclopentyl-N-ethyl-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine
CID 104745467
1-cyclohexyl-N'-(3,3-dimethylbutan-2-yl)-N'-methylethane-1,2-diamine
CID 113448166
1-cyclohexyl-N',N'-bis(3-methylbutyl)ethane-1,2-diamine
CID 107869689
N',1-dicyclopentyl-N'-ethylethane-1,2-diamine
CID 104744779
1-cyclohexyl-N'-(cyclopropylmethyl)-N'-propan-2-ylethane-1,2-diamine
CID 104745492
1-cyclooctyl-5-methylhexan-1-amine
CID 83162244
N'-cyclopentyl-1-cyclopropyl-N'-methylethane-1,2-diamine
CID 63914724
1-cyclohexyl-N'-cyclopentyl-N'-ethylethane-1,2-diamine
CID 104744777
1-cyclopentyl-N'-[1-(2-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine
CID 104746052
1-amino-1-cyclohexyl-6-methylheptan-3-ol
CID 22367824
1-cyclodecyl-N'-ethyl-N'-methylmethanediamine
CID 163495055

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine?
The IUPAC name of 1-cyclopentyl-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine (CID 104745466) is 1-cyclopentyl-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-cyclopentyl-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine?
The canonical SMILES for 1-cyclopentyl-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine is CC(C)CC(C)N(C)CC(N)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine?
The InChIKey is AANFFSHFPAQVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-11(2)9-12(3)16(4)10-14(15)13-7-5-6-8-13/h11-14H,5-10,15H2,1-4H3.
What are the key properties of 1-cyclopentyl-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine?
1-cyclopentyl-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine has a molecular weight of 226.41 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 104745466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).