3-methyl-2-N-(3-methylcyclopentyl)pentane-1,2-diamine

C12H26N2 — CID 114544488

IUPAC3-methyl-2-N-(3-methylcyclopentyl)pentane-1,2-diamine
SMILESCCC(C)C(CN)NC1CCC(C)C1
InChIInChI=1S/C12H26N2/c1-4-10(3)12(8-13)14-11-6-5-9(2)7-11/h9-12,14H,4-8,13H2,1-3H3
InChIKeyYMEZGRVSYRIUDU-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.14
Rot. Bonds5

About 3-methyl-2-N-(3-methylcyclopentyl)pentane-1,2-diamine

3-methyl-2-N-(3-methylcyclopentyl)pentane-1,2-diamine (PubChem CID 114544488) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 3-methyl-2-N-(3-methylcyclopentyl)pentane-1,2-diamine.

Molecular Properties

Compound Name3-methyl-2-N-(3-methylcyclopentyl)pentane-1,2-diamine
PubChem CID114544488
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name3-methyl-2-N-(3-methylcyclopentyl)pentane-1,2-diamine
SMILESCCC(C)C(CN)NC1CCC(C)C1
InChIInChI=1S/C12H26N2/c1-4-10(3)12(8-13)14-11-6-5-9(2)7-11/h9-12,14H,4-8,13H2,1-3H3
InChIKeyYMEZGRVSYRIUDU-UHFFFAOYSA-N
XLogP2.14
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-(3-methylcyclopentyl)pentane-1,2-diamine
CID 114544517
N-(1-ethoxy-3-methylbutan-2-yl)-3-methylcyclopentan-1-amine
CID 103271735
trans-(1S,3S)-3-methyl-N-propan-2-ylcyclopentan-1-amine
CID 58394445
(1R)-3-methyl-N-propan-2-ylcyclopentan-1-amine
CID 58394376
2-N-cyclopentyl-3-methylhexane-1,2-diamine
CID 65384574
2-N-(3-methylcyclopentyl)heptane-1,2-diamine
CID 114544598
cis-(1S,3R)-N-[(2S)-1-methoxypropan-2-yl]-3-methylcyclopentan-1-amine
CID 95368713
(2S)-2-[(3-methylcyclopentyl)amino]propan-1-ol
CID 103773858
(2S)-2-[[(1S,3R)-3-methylcyclopentyl]amino]propan-1-ol
CID 95368773
2-[(3-ethylcyclopentyl)amino]-3-methylpentan-1-ol
CID 115891675
N'-(3-methylcyclopentyl)-2-propan-2-ylpropane-1,3-diamine
CID 114547307
2-N-(2,6-dimethylpiperidin-1-yl)-3-methylpentane-1,2-diamine
CID 83012065

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-N-(3-methylcyclopentyl)pentane-1,2-diamine?
The IUPAC name of 3-methyl-2-N-(3-methylcyclopentyl)pentane-1,2-diamine (CID 114544488) is 3-methyl-2-N-(3-methylcyclopentyl)pentane-1,2-diamine.
What is the SMILES notation for 3-methyl-2-N-(3-methylcyclopentyl)pentane-1,2-diamine?
The canonical SMILES for 3-methyl-2-N-(3-methylcyclopentyl)pentane-1,2-diamine is CCC(C)C(CN)NC1CCC(C)C1.
What is the InChIKey of 3-methyl-2-N-(3-methylcyclopentyl)pentane-1,2-diamine?
The InChIKey is YMEZGRVSYRIUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-4-10(3)12(8-13)14-11-6-5-9(2)7-11/h9-12,14H,4-8,13H2,1-3H3.
What are the key properties of 3-methyl-2-N-(3-methylcyclopentyl)pentane-1,2-diamine?
3-methyl-2-N-(3-methylcyclopentyl)pentane-1,2-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-N-(3-methylcyclopentyl)pentane-1,2-diamine is sourced from PubChem (CID 114544488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).