2-N-(cyclopentylmethyl)-3,3-dimethoxy-2-N,2-dimethylpropane-1,2-diamine

C13H28N2O2 — CID 66179062

IUPAC2-N-(cyclopentylmethyl)-3,3-dimethoxy-2-N,2-dimethylpropane-1,2-diamine
SMILESCOC(OC)C(C)(CN)N(C)CC1CCCC1
InChIInChI=1S/C13H28N2O2/c1-13(10-14,12(16-3)17-4)15(2)9-11-7-5-6-8-11/h11-12H,5-10,14H2,1-4H3
InChIKeyNCAQLPRFRRSIRI-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.44
Rot. Bonds7

About 2-N-(cyclopentylmethyl)-3,3-dimethoxy-2-N,2-dimethylpropane-1,2-diamine

2-N-(cyclopentylmethyl)-3,3-dimethoxy-2-N,2-dimethylpropane-1,2-diamine (PubChem CID 66179062) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-N-(cyclopentylmethyl)-3,3-dimethoxy-2-N,2-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(cyclopentylmethyl)-3,3-dimethoxy-2-N,2-dimethylpropane-1,2-diamine
PubChem CID66179062
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name2-N-(cyclopentylmethyl)-3,3-dimethoxy-2-N,2-dimethylpropane-1,2-diamine
SMILESCOC(OC)C(C)(CN)N(C)CC1CCCC1
InChIInChI=1S/C13H28N2O2/c1-13(10-14,12(16-3)17-4)15(2)9-11-7-5-6-8-11/h11-12H,5-10,14H2,1-4H3
InChIKeyNCAQLPRFRRSIRI-UHFFFAOYSA-N
XLogP1.44
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3,3-dimethoxy-2-N,2-dimethyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]propane-1,2-diamine
CID 79303319
2-N-(cyclobutylmethyl)-2-N,2-dimethylpropane-1,2-diamine
CID 62860403
2-N-(cyclopentylmethyl)-2-N,2-dimethylbutane-1,2-diamine
CID 62009371
2-N-(cyclobutylmethyl)-4-methoxy-2-N,2-dimethylbutane-1,2-diamine
CID 62861289
2-N-butan-2-yl-3,3-dimethoxy-2-N,2-dimethylpropane-1,2-diamine
CID 66179836
3,3-dimethoxy-2-N,2-dimethyl-2-N-(3-methylbutan-2-yl)propane-1,2-diamine
CID 66180827
2-N-(cyclobutylmethyl)-2-ethyl-2-N-methylbutane-1,2-diamine
CID 62860217
2-N-(cyclohexylmethyl)-2-N-methyl-2-propylpentane-1,2-diamine
CID 63472711
2-N-(cyclohexylmethyl)-2-N,4,4-trimethylpentane-1,2-diamine
CID 62950046
3,3-dimethoxy-2-methyl-2-N,2-N-dipropylpropane-1,2-diamine
CID 66181214
N-(cyclopentylmethyl)-2,2-dimethoxy-N-methylethanamine
CID 66222142
3,3-dimethoxy-2-N-[(2-methoxyphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine
CID 66179840

Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclopentylmethyl)-3,3-dimethoxy-2-N,2-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-(cyclopentylmethyl)-3,3-dimethoxy-2-N,2-dimethylpropane-1,2-diamine (CID 66179062) is 2-N-(cyclopentylmethyl)-3,3-dimethoxy-2-N,2-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(cyclopentylmethyl)-3,3-dimethoxy-2-N,2-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-(cyclopentylmethyl)-3,3-dimethoxy-2-N,2-dimethylpropane-1,2-diamine is COC(OC)C(C)(CN)N(C)CC1CCCC1.
What is the InChIKey of 2-N-(cyclopentylmethyl)-3,3-dimethoxy-2-N,2-dimethylpropane-1,2-diamine?
The InChIKey is NCAQLPRFRRSIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-13(10-14,12(16-3)17-4)15(2)9-11-7-5-6-8-11/h11-12H,5-10,14H2,1-4H3.
What are the key properties of 2-N-(cyclopentylmethyl)-3,3-dimethoxy-2-N,2-dimethylpropane-1,2-diamine?
2-N-(cyclopentylmethyl)-3,3-dimethoxy-2-N,2-dimethylpropane-1,2-diamine has a molecular weight of 244.38 g/mol, XLogP of 1.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclopentylmethyl)-3,3-dimethoxy-2-N,2-dimethylpropane-1,2-diamine is sourced from PubChem (CID 66179062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).