N'-[(2,2-dimethylcyclopentyl)methyl]ethane-1,2-diamine

C10H22N2 — CID 107178361

IUPACN'-[(2,2-dimethylcyclopentyl)methyl]ethane-1,2-diamine
SMILESCC1(C)CCCC1CNCCN
InChIInChI=1S/C10H22N2/c1-10(2)5-3-4-9(10)8-12-7-6-11/h9,12H,3-8,11H2,1-2H3
InChIKeyZSYUHCMDWAANPO-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.36
Rot. Bonds4

About N'-[(2,2-dimethylcyclopentyl)methyl]ethane-1,2-diamine

N'-[(2,2-dimethylcyclopentyl)methyl]ethane-1,2-diamine (PubChem CID 107178361) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is N'-[(2,2-dimethylcyclopentyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(2,2-dimethylcyclopentyl)methyl]ethane-1,2-diamine
PubChem CID107178361
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC NameN'-[(2,2-dimethylcyclopentyl)methyl]ethane-1,2-diamine
SMILESCC1(C)CCCC1CNCCN
InChIInChI=1S/C10H22N2/c1-10(2)5-3-4-9(10)8-12-7-6-11/h9,12H,3-8,11H2,1-2H3
InChIKeyZSYUHCMDWAANPO-UHFFFAOYSA-N
XLogP1.36
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-[(2,2-dimethylcyclopentyl)methyl]-N-propylpropane-1,3-diamine
CID 107178474
N-[(2,2-dimethylcyclopentyl)methyl]-2-methoxyethanamine
CID 79862677
N'-[(2,2-dimethylcyclohexyl)methyl]-N-propylethane-1,2-diamine
CID 107178371
N-[(2,2-dimethylcyclohexyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 107178393
N-[(2,2-dimethylcyclopentyl)methyl]cycloheptanamine
CID 107178325
[(1S)-2,2-dimethylcyclohexyl]methanamine
CID 90019536
(2,2-dimethylcyclohexyl)methanamine
CID 22484483
1-(2,2-dimethylcycloheptyl)-N-methylmethanamine
CID 83905807
N'-[(5,5-dimethyloxolan-2-yl)methyl]ethane-1,2-diamine
CID 116521389
1-(2,2-dimethylcyclohexyl)-N-(oxolan-2-ylmethyl)methanamine
CID 107178329
N'-(cyclopropylmethyl)ethane-1,2-diamine
CID 21062197
2-N-[(2,2-dimethylcyclopentyl)methyl]-1-N-(2-methoxyethyl)propane-1,2-diamine
CID 107178423

Frequently Asked Questions

What is the IUPAC name of N'-[(2,2-dimethylcyclopentyl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-[(2,2-dimethylcyclopentyl)methyl]ethane-1,2-diamine (CID 107178361) is N'-[(2,2-dimethylcyclopentyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[(2,2-dimethylcyclopentyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-[(2,2-dimethylcyclopentyl)methyl]ethane-1,2-diamine is CC1(C)CCCC1CNCCN.
What is the InChIKey of N'-[(2,2-dimethylcyclopentyl)methyl]ethane-1,2-diamine?
The InChIKey is ZSYUHCMDWAANPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-10(2)5-3-4-9(10)8-12-7-6-11/h9,12H,3-8,11H2,1-2H3.
What are the key properties of N'-[(2,2-dimethylcyclopentyl)methyl]ethane-1,2-diamine?
N'-[(2,2-dimethylcyclopentyl)methyl]ethane-1,2-diamine has a molecular weight of 170.30 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2,2-dimethylcyclopentyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 107178361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).