2-cyclopropyl-2-N-(3,3-dimethylpentyl)propane-1,2-diamine;hydrochloride

C13H29ClN2 — CID 119929054

IUPAC2-cyclopropyl-2-N-(3,3-dimethylpentyl)propane-1,2-diamine;hydrochloride
SMILESCCC(C)(C)CCNC(C)(CN)C1CC1.Cl
InChIInChI=1S/C13H28N2.ClH/c1-5-12(2,3)8-9-15-13(4,10-14)11-6-7-11;/h11,15H,5-10,14H2,1-4H3;1H
InChIKeyUSXHLQGKVQXPID-UHFFFAOYSA-N
MW248.84 g/mol
LogP2.95
Rot. Bonds7

About 2-cyclopropyl-2-N-(3,3-dimethylpentyl)propane-1,2-diamine;hydrochloride

2-cyclopropyl-2-N-(3,3-dimethylpentyl)propane-1,2-diamine;hydrochloride (PubChem CID 119929054) has the molecular formula C13H29ClN2 and a molecular weight of 248.84 g/mol. Its IUPAC name is 2-cyclopropyl-2-N-(3,3-dimethylpentyl)propane-1,2-diamine;hydrochloride.

Molecular Properties

Compound Name2-cyclopropyl-2-N-(3,3-dimethylpentyl)propane-1,2-diamine;hydrochloride
PubChem CID119929054
Molecular FormulaC13H29ClN2
Molecular Weight248.84 g/mol
Exact Mass248.20
IUPAC Name2-cyclopropyl-2-N-(3,3-dimethylpentyl)propane-1,2-diamine;hydrochloride
SMILESCCC(C)(C)CCNC(C)(CN)C1CC1.Cl
InChIInChI=1S/C13H28N2.ClH/c1-5-12(2,3)8-9-15-13(4,10-14)11-6-7-11;/h11,15H,5-10,14H2,1-4H3;1H
InChIKeyUSXHLQGKVQXPID-UHFFFAOYSA-N
XLogP2.95
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.84
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2-cyclopropyl-2-N-propan-2-ylpropane-1,2-diamine
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2-[(1-amino-2-cyclopropylpropan-2-yl)amino]-N-cyclopropylacetamide
CID 119929037
2-N-[2-(3-bromo-5-fluorophenoxy)ethyl]-2-cyclopropylpropane-1,2-diamine;hydrochloride
CID 120966440
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CID 81486890
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CID 115307789
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1-tert-butyl-4-(3,3-dimethylpentyl)cyclohexane
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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-N-(3,3-dimethylpentyl)propane-1,2-diamine;hydrochloride?
The IUPAC name of 2-cyclopropyl-2-N-(3,3-dimethylpentyl)propane-1,2-diamine;hydrochloride (CID 119929054) is 2-cyclopropyl-2-N-(3,3-dimethylpentyl)propane-1,2-diamine;hydrochloride.
What is the SMILES notation for 2-cyclopropyl-2-N-(3,3-dimethylpentyl)propane-1,2-diamine;hydrochloride?
The canonical SMILES for 2-cyclopropyl-2-N-(3,3-dimethylpentyl)propane-1,2-diamine;hydrochloride is CCC(C)(C)CCNC(C)(CN)C1CC1.Cl.
What is the InChIKey of 2-cyclopropyl-2-N-(3,3-dimethylpentyl)propane-1,2-diamine;hydrochloride?
The InChIKey is USXHLQGKVQXPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2.ClH/c1-5-12(2,3)8-9-15-13(4,10-14)11-6-7-11;/h11,15H,5-10,14H2,1-4H3;1H.
What are the key properties of 2-cyclopropyl-2-N-(3,3-dimethylpentyl)propane-1,2-diamine;hydrochloride?
2-cyclopropyl-2-N-(3,3-dimethylpentyl)propane-1,2-diamine;hydrochloride has a molecular weight of 248.84 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-N-(3,3-dimethylpentyl)propane-1,2-diamine;hydrochloride is sourced from PubChem (CID 119929054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).