2-N-[(2,2-dimethylcyclopentyl)methyl]-1-N-(2-methoxyethyl)propane-1,2-diamine

C14H30N2O — CID 107178423

IUPAC2-N-[(2,2-dimethylcyclopentyl)methyl]-1-N-(2-methoxyethyl)propane-1,2-diamine
SMILESCOCCNCC(C)NCC1CCCC1(C)C
InChIInChI=1S/C14H30N2O/c1-12(10-15-8-9-17-4)16-11-13-6-5-7-14(13,2)3/h12-13,15-16H,5-11H2,1-4H3
InChIKeyVQBGDEAQDBEXJP-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.03
Rot. Bonds8

About 2-N-[(2,2-dimethylcyclopentyl)methyl]-1-N-(2-methoxyethyl)propane-1,2-diamine

2-N-[(2,2-dimethylcyclopentyl)methyl]-1-N-(2-methoxyethyl)propane-1,2-diamine (PubChem CID 107178423) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 2-N-[(2,2-dimethylcyclopentyl)methyl]-1-N-(2-methoxyethyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(2,2-dimethylcyclopentyl)methyl]-1-N-(2-methoxyethyl)propane-1,2-diamine
PubChem CID107178423
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name2-N-[(2,2-dimethylcyclopentyl)methyl]-1-N-(2-methoxyethyl)propane-1,2-diamine
SMILESCOCCNCC(C)NCC1CCCC1(C)C
InChIInChI=1S/C14H30N2O/c1-12(10-15-8-9-17-4)16-11-13-6-5-7-14(13,2)3/h12-13,15-16H,5-11H2,1-4H3
InChIKeyVQBGDEAQDBEXJP-UHFFFAOYSA-N
XLogP2.03
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,2-dimethylcyclopentyl)methyl]-2-methoxyethanamine
CID 79862677
2-cyclobutyloxy-N-(2-methoxyethyl)propan-1-amine
CID 62582703
N'-[(2,2-dimethylcyclopentyl)methyl]ethane-1,2-diamine
CID 107178361
1-N-(2-methoxyethyl)-2-N-[3-(oxolan-2-yl)propyl]propane-1,2-diamine
CID 113407671
2-N-[2-(1,1-dioxothiolan-3-yl)ethyl]-1-N-(2-methoxyethyl)propane-1,2-diamine
CID 113407660
N-[(7-tert-butylspiro[2.6]nonan-2-yl)methyl]-2-methoxyethanamine
CID 65094892
N'-[(2,2-dimethylcyclopentyl)methyl]-N-propylpropane-1,3-diamine
CID 107178474
3-cyclohexyl-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 62725662
1-cyclobutyl-N-[(2,2-dimethylcyclopropyl)methyl]propan-2-amine
CID 103902079
N-(cyclopropylmethyl)-2-methoxyethanamine
CID 19353678
3-(3-ethylcyclohexyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 64666288
1-N-(2-methoxyethyl)-2-N-(pyrimidin-2-ylmethyl)propane-1,2-diamine
CID 114553103

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2,2-dimethylcyclopentyl)methyl]-1-N-(2-methoxyethyl)propane-1,2-diamine?
The IUPAC name of 2-N-[(2,2-dimethylcyclopentyl)methyl]-1-N-(2-methoxyethyl)propane-1,2-diamine (CID 107178423) is 2-N-[(2,2-dimethylcyclopentyl)methyl]-1-N-(2-methoxyethyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-[(2,2-dimethylcyclopentyl)methyl]-1-N-(2-methoxyethyl)propane-1,2-diamine?
The canonical SMILES for 2-N-[(2,2-dimethylcyclopentyl)methyl]-1-N-(2-methoxyethyl)propane-1,2-diamine is COCCNCC(C)NCC1CCCC1(C)C.
What is the InChIKey of 2-N-[(2,2-dimethylcyclopentyl)methyl]-1-N-(2-methoxyethyl)propane-1,2-diamine?
The InChIKey is VQBGDEAQDBEXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-12(10-15-8-9-17-4)16-11-13-6-5-7-14(13,2)3/h12-13,15-16H,5-11H2,1-4H3.
What are the key properties of 2-N-[(2,2-dimethylcyclopentyl)methyl]-1-N-(2-methoxyethyl)propane-1,2-diamine?
2-N-[(2,2-dimethylcyclopentyl)methyl]-1-N-(2-methoxyethyl)propane-1,2-diamine has a molecular weight of 242.41 g/mol, XLogP of 2.03, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2,2-dimethylcyclopentyl)methyl]-1-N-(2-methoxyethyl)propane-1,2-diamine is sourced from PubChem (CID 107178423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).