1-N,2-N-dimethyl-4-propan-2-yl-2-N-(pyridin-4-ylmethyl)cyclohexane-1,2-diamine

C17H29N3 — CID 62701626

IUPAC1-N,2-N-dimethyl-4-propan-2-yl-2-N-(pyridin-4-ylmethyl)cyclohexane-1,2-diamine
SMILESCNC1CCC(C(C)C)CC1N(C)Cc1ccncc1
InChIInChI=1S/C17H29N3/c1-13(2)15-5-6-16(18-3)17(11-15)20(4)12-14-7-9-19-10-8-14/h7-10,13,15-18H,5-6,11-12H2,1-4H3
InChIKeyMBCZPARWPFTQRE-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.93
Rot. Bonds5

About 1-N,2-N-dimethyl-4-propan-2-yl-2-N-(pyridin-4-ylmethyl)cyclohexane-1,2-diamine

1-N,2-N-dimethyl-4-propan-2-yl-2-N-(pyridin-4-ylmethyl)cyclohexane-1,2-diamine (PubChem CID 62701626) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-N,2-N-dimethyl-4-propan-2-yl-2-N-(pyridin-4-ylmethyl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N-dimethyl-4-propan-2-yl-2-N-(pyridin-4-ylmethyl)cyclohexane-1,2-diamine
PubChem CID62701626
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name1-N,2-N-dimethyl-4-propan-2-yl-2-N-(pyridin-4-ylmethyl)cyclohexane-1,2-diamine
SMILESCNC1CCC(C(C)C)CC1N(C)Cc1ccncc1
InChIInChI=1S/C17H29N3/c1-13(2)15-5-6-16(18-3)17(11-15)20(4)12-14-7-9-19-10-8-14/h7-10,13,15-18H,5-6,11-12H2,1-4H3
InChIKeyMBCZPARWPFTQRE-UHFFFAOYSA-N
XLogP2.93
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-N,2-N-dimethyl-4-propan-2-yl-2-N-(pyridin-4-ylmethyl)cyclohexane-1,2-diamine with MolForge

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Related Compounds

2-N-[(2-fluorophenyl)methyl]-1-N,2-N-dimethyl-4-propan-2-ylcyclohexane-1,2-diamine
CID 62708399
2-N-(cyclohexylmethyl)-1-N,2-N-dimethyl-4-propan-2-ylcyclohexane-1,2-diamine
CID 63469233
2-N-[3-(dimethylamino)propyl]-1-N,2-N-dimethyl-4-propan-2-ylcyclohexane-1,2-diamine
CID 63694683
1-N,2-N-dimethyl-2-N-(oxolan-2-ylmethyl)-4-propan-2-ylcyclohexane-1,2-diamine
CID 55106006
2-N-cyclopentyl-1-N,2-N-dimethyl-4-propan-2-ylcyclohexane-1,2-diamine
CID 62703317
4-propan-2-yl-N-(pyridin-4-ylmethyl)cycloheptan-1-amine
CID 65087684
2-N-[2-(dimethylamino)ethyl]-1-N-methyl-2-N-(2-methylpropyl)-4-propan-2-ylcyclohexane-1,2-diamine
CID 62708407
2-[(dimethylamino)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 62708303
4-(2-chloro-3-cyclopropylbutyl)pyridine
CID 83152471
N-[[4-propan-2-yl-2-(pyridin-4-ylmethyl)cyclohexyl]methyl]ethanamine
CID 81029704
N-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine;hydrochloride
CID 71641683
1-cyclohexyl-N,N'-dimethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 104744827

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-dimethyl-4-propan-2-yl-2-N-(pyridin-4-ylmethyl)cyclohexane-1,2-diamine?
The IUPAC name of 1-N,2-N-dimethyl-4-propan-2-yl-2-N-(pyridin-4-ylmethyl)cyclohexane-1,2-diamine (CID 62701626) is 1-N,2-N-dimethyl-4-propan-2-yl-2-N-(pyridin-4-ylmethyl)cyclohexane-1,2-diamine.
What is the SMILES notation for 1-N,2-N-dimethyl-4-propan-2-yl-2-N-(pyridin-4-ylmethyl)cyclohexane-1,2-diamine?
The canonical SMILES for 1-N,2-N-dimethyl-4-propan-2-yl-2-N-(pyridin-4-ylmethyl)cyclohexane-1,2-diamine is CNC1CCC(C(C)C)CC1N(C)Cc1ccncc1.
What is the InChIKey of 1-N,2-N-dimethyl-4-propan-2-yl-2-N-(pyridin-4-ylmethyl)cyclohexane-1,2-diamine?
The InChIKey is MBCZPARWPFTQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-13(2)15-5-6-16(18-3)17(11-15)20(4)12-14-7-9-19-10-8-14/h7-10,13,15-18H,5-6,11-12H2,1-4H3.
What are the key properties of 1-N,2-N-dimethyl-4-propan-2-yl-2-N-(pyridin-4-ylmethyl)cyclohexane-1,2-diamine?
1-N,2-N-dimethyl-4-propan-2-yl-2-N-(pyridin-4-ylmethyl)cyclohexane-1,2-diamine has a molecular weight of 275.44 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-dimethyl-4-propan-2-yl-2-N-(pyridin-4-ylmethyl)cyclohexane-1,2-diamine is sourced from PubChem (CID 62701626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).