2-N-methyl-2-N-[2-(3-methylcyclohexyl)ethyl]propane-1,2-diamine;hydrochloride

C13H29ClN2 — CID 119924723

IUPAC2-N-methyl-2-N-[2-(3-methylcyclohexyl)ethyl]propane-1,2-diamine;hydrochloride
SMILESCC1CCCC(CCN(C)C(C)CN)C1.Cl
InChIInChI=1S/C13H28N2.ClH/c1-11-5-4-6-13(9-11)7-8-15(3)12(2)10-14;/h11-13H,4-10,14H2,1-3H3;1H
InChIKeyUUMSWVZZGKMPHJ-UHFFFAOYSA-N
MW248.84 g/mol
LogP2.90
Rot. Bonds5

About 2-N-methyl-2-N-[2-(3-methylcyclohexyl)ethyl]propane-1,2-diamine;hydrochloride

2-N-methyl-2-N-[2-(3-methylcyclohexyl)ethyl]propane-1,2-diamine;hydrochloride (PubChem CID 119924723) has the molecular formula C13H29ClN2 and a molecular weight of 248.84 g/mol. Its IUPAC name is 2-N-methyl-2-N-[2-(3-methylcyclohexyl)ethyl]propane-1,2-diamine;hydrochloride.

Molecular Properties

Compound Name2-N-methyl-2-N-[2-(3-methylcyclohexyl)ethyl]propane-1,2-diamine;hydrochloride
PubChem CID119924723
Molecular FormulaC13H29ClN2
Molecular Weight248.84 g/mol
Exact Mass248.20
IUPAC Name2-N-methyl-2-N-[2-(3-methylcyclohexyl)ethyl]propane-1,2-diamine;hydrochloride
SMILESCC1CCCC(CCN(C)C(C)CN)C1.Cl
InChIInChI=1S/C13H28N2.ClH/c1-11-5-4-6-13(9-11)7-8-15(3)12(2)10-14;/h11-13H,4-10,14H2,1-3H3;1H
InChIKeyUUMSWVZZGKMPHJ-UHFFFAOYSA-N
XLogP2.90
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.84
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-[2-(3-methylcyclohexyl)ethyl]propane-1,2-diamine;hydrochloride?
The IUPAC name of 2-N-methyl-2-N-[2-(3-methylcyclohexyl)ethyl]propane-1,2-diamine;hydrochloride (CID 119924723) is 2-N-methyl-2-N-[2-(3-methylcyclohexyl)ethyl]propane-1,2-diamine;hydrochloride.
What is the SMILES notation for 2-N-methyl-2-N-[2-(3-methylcyclohexyl)ethyl]propane-1,2-diamine;hydrochloride?
The canonical SMILES for 2-N-methyl-2-N-[2-(3-methylcyclohexyl)ethyl]propane-1,2-diamine;hydrochloride is CC1CCCC(CCN(C)C(C)CN)C1.Cl.
What is the InChIKey of 2-N-methyl-2-N-[2-(3-methylcyclohexyl)ethyl]propane-1,2-diamine;hydrochloride?
The InChIKey is UUMSWVZZGKMPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2.ClH/c1-11-5-4-6-13(9-11)7-8-15(3)12(2)10-14;/h11-13H,4-10,14H2,1-3H3;1H.
What are the key properties of 2-N-methyl-2-N-[2-(3-methylcyclohexyl)ethyl]propane-1,2-diamine;hydrochloride?
2-N-methyl-2-N-[2-(3-methylcyclohexyl)ethyl]propane-1,2-diamine;hydrochloride has a molecular weight of 248.84 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-[2-(3-methylcyclohexyl)ethyl]propane-1,2-diamine;hydrochloride is sourced from PubChem (CID 119924723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).