2-N-cyclopentyl-2-N,2,5-trimethylhexane-1,2-diamine

C14H30N2 — CID 43267042

IUPAC2-N-cyclopentyl-2-N,2,5-trimethylhexane-1,2-diamine
SMILESCC(C)CCC(C)(CN)N(C)C1CCCC1
InChIInChI=1S/C14H30N2/c1-12(2)9-10-14(3,11-15)16(4)13-7-5-6-8-13/h12-13H,5-11,15H2,1-4H3
InChIKeyXTUFAQSXTAQMQJ-UHFFFAOYSA-N
MW226.41 g/mol
LogP3.01
Rot. Bonds6

About 2-N-cyclopentyl-2-N,2,5-trimethylhexane-1,2-diamine

2-N-cyclopentyl-2-N,2,5-trimethylhexane-1,2-diamine (PubChem CID 43267042) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 2-N-cyclopentyl-2-N,2,5-trimethylhexane-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclopentyl-2-N,2,5-trimethylhexane-1,2-diamine
PubChem CID43267042
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name2-N-cyclopentyl-2-N,2,5-trimethylhexane-1,2-diamine
SMILESCC(C)CCC(C)(CN)N(C)C1CCCC1
InChIInChI=1S/C14H30N2/c1-12(2)9-10-14(3,11-15)16(4)13-7-5-6-8-13/h12-13H,5-11,15H2,1-4H3
InChIKeyXTUFAQSXTAQMQJ-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-cyclopentyl-2-N-ethyl-2,5-dimethylhexane-1,2-diamine
CID 43540970
2-N-cyclohexyl-2-N-ethyl-2,5-dimethylhexane-1,2-diamine
CID 43409655
2-N-cyclopropyl-2,5-dimethyl-2-N-(3-methylbutyl)hexane-1,2-diamine
CID 78974063
2-N-cycloheptyl-2-N,2-dimethylnonane-1,2-diamine
CID 43613910
2-N,2,5-trimethyl-2-N-(2-methyloxolan-3-yl)hexane-1,2-diamine
CID 82734351
2-N-cyclopropyl-2-N,2-dimethylnonane-1,2-diamine
CID 43264803
2-N-(cyclopropylmethyl)-2-N-ethyl-2,5-dimethylhexane-1,2-diamine
CID 63956765
2-N,2,5-trimethyl-2-N-(oxan-3-ylmethyl)hexane-1,2-diamine
CID 63725070
2-N,2,5-trimethyl-2-N-[(1-methylpiperidin-4-yl)methyl]hexane-1,2-diamine
CID 63233337
2-N-(4-ethylcyclohexyl)-2-N,2-dimethylpentane-1,2-diamine
CID 54948149
2-N-(cyclopropylmethyl)-2,5-dimethyl-2-N-propylhexane-1,2-diamine
CID 60709986
N-methyl-N-(2-methylpropyl)cyclopentanamine
CID 89147388

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopentyl-2-N,2,5-trimethylhexane-1,2-diamine?
The IUPAC name of 2-N-cyclopentyl-2-N,2,5-trimethylhexane-1,2-diamine (CID 43267042) is 2-N-cyclopentyl-2-N,2,5-trimethylhexane-1,2-diamine.
What is the SMILES notation for 2-N-cyclopentyl-2-N,2,5-trimethylhexane-1,2-diamine?
The canonical SMILES for 2-N-cyclopentyl-2-N,2,5-trimethylhexane-1,2-diamine is CC(C)CCC(C)(CN)N(C)C1CCCC1.
What is the InChIKey of 2-N-cyclopentyl-2-N,2,5-trimethylhexane-1,2-diamine?
The InChIKey is XTUFAQSXTAQMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-12(2)9-10-14(3,11-15)16(4)13-7-5-6-8-13/h12-13H,5-11,15H2,1-4H3.
What are the key properties of 2-N-cyclopentyl-2-N,2,5-trimethylhexane-1,2-diamine?
2-N-cyclopentyl-2-N,2,5-trimethylhexane-1,2-diamine has a molecular weight of 226.41 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopentyl-2-N,2,5-trimethylhexane-1,2-diamine is sourced from PubChem (CID 43267042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).