2-N-methyl-4-(2-methylbutan-2-yl)-2-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1,2-diamine

C18H37N3 — CID 63275857

IUPAC2-N-methyl-4-(2-methylbutan-2-yl)-2-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1,2-diamine
SMILESCCC(C)(C)C1CCC(N)C(N(C)CC2CCN(C)C2)C1
InChIInChI=1S/C18H37N3/c1-6-18(2,3)15-7-8-16(19)17(11-15)21(5)13-14-9-10-20(4)12-14/h14-17H,6-13,19H2,1-5H3
InChIKeyKXWIXLVFFJHVQV-UHFFFAOYSA-N
MW295.51 g/mol
LogP2.80
Rot. Bonds5

About 2-N-methyl-4-(2-methylbutan-2-yl)-2-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1,2-diamine

2-N-methyl-4-(2-methylbutan-2-yl)-2-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1,2-diamine (PubChem CID 63275857) has the molecular formula C18H37N3 and a molecular weight of 295.51 g/mol. Its IUPAC name is 2-N-methyl-4-(2-methylbutan-2-yl)-2-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-4-(2-methylbutan-2-yl)-2-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1,2-diamine
PubChem CID63275857
Molecular FormulaC18H37N3
Molecular Weight295.51 g/mol
Exact Mass295.30
IUPAC Name2-N-methyl-4-(2-methylbutan-2-yl)-2-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1,2-diamine
SMILESCCC(C)(C)C1CCC(N)C(N(C)CC2CCN(C)C2)C1
InChIInChI=1S/C18H37N3/c1-6-18(2,3)15-7-8-16(19)17(11-15)21(5)13-14-9-10-20(4)12-14/h14-17H,6-13,19H2,1-5H3
InChIKeyKXWIXLVFFJHVQV-UHFFFAOYSA-N
XLogP2.80
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1,2-diamine
CID 63275638
2-N-(2,2-dimethylpropyl)-2-N-methyl-4-(2-methylbutan-2-yl)cyclohexane-1,2-diamine
CID 63470173
2-(aminomethyl)-N-(cyclopropylmethyl)-N-methyl-5-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 54883914
2-N-methyl-4-(2-methylbutan-2-yl)-2-N-(oxolan-2-ylmethyl)cyclohexane-1,2-diamine
CID 61431444
2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-4-propylcyclohexane-1,2-diamine
CID 63233108
2-N-methyl-4-(2-methylbutan-2-yl)-2-N-(2-propan-2-yloxyethyl)cyclohexane-1,2-diamine
CID 81055494
4-tert-butyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]cyclohexan-1-ol
CID 63236736
1-methyl-3-(2-methylbutan-2-yl)pyrrolidine
CID 129106499
2-[(tert-butylamino)methyl]-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine
CID 80998648
4-tert-butyl-2-N-methyl-2-N-(1-methylpiperidin-3-yl)cyclohexane-1,2-diamine
CID 62546939
4-(2-methylbutan-2-yl)-2-[methyl(oxan-4-ylmethyl)amino]cyclohexan-1-ol
CID 63712484
2-[cyclobutylmethyl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid
CID 63073876

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-4-(2-methylbutan-2-yl)-2-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1,2-diamine?
The IUPAC name of 2-N-methyl-4-(2-methylbutan-2-yl)-2-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1,2-diamine (CID 63275857) is 2-N-methyl-4-(2-methylbutan-2-yl)-2-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-4-(2-methylbutan-2-yl)-2-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1,2-diamine?
The canonical SMILES for 2-N-methyl-4-(2-methylbutan-2-yl)-2-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1,2-diamine is CCC(C)(C)C1CCC(N)C(N(C)CC2CCN(C)C2)C1.
What is the InChIKey of 2-N-methyl-4-(2-methylbutan-2-yl)-2-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1,2-diamine?
The InChIKey is KXWIXLVFFJHVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3/c1-6-18(2,3)15-7-8-16(19)17(11-15)21(5)13-14-9-10-20(4)12-14/h14-17H,6-13,19H2,1-5H3.
What are the key properties of 2-N-methyl-4-(2-methylbutan-2-yl)-2-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1,2-diamine?
2-N-methyl-4-(2-methylbutan-2-yl)-2-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1,2-diamine has a molecular weight of 295.51 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-4-(2-methylbutan-2-yl)-2-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1,2-diamine is sourced from PubChem (CID 63275857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).