2-(2-methylbutyl)-4-propan-2-yl-N-propylcyclohexan-1-amine

C17H35N — CID 63401154

IUPAC2-(2-methylbutyl)-4-propan-2-yl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C(C)C)CC1CC(C)CC
InChIInChI=1S/C17H35N/c1-6-10-18-17-9-8-15(13(3)4)12-16(17)11-14(5)7-2/h13-18H,6-12H2,1-5H3
InChIKeyIPXYHOGNNSVQNY-UHFFFAOYSA-N
MW253.47 g/mol
LogP4.86
Rot. Bonds7

About 2-(2-methylbutyl)-4-propan-2-yl-N-propylcyclohexan-1-amine

2-(2-methylbutyl)-4-propan-2-yl-N-propylcyclohexan-1-amine (PubChem CID 63401154) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is 2-(2-methylbutyl)-4-propan-2-yl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(2-methylbutyl)-4-propan-2-yl-N-propylcyclohexan-1-amine
PubChem CID63401154
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC Name2-(2-methylbutyl)-4-propan-2-yl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C(C)C)CC1CC(C)CC
InChIInChI=1S/C17H35N/c1-6-10-18-17-9-8-15(13(3)4)12-16(17)11-14(5)7-2/h13-18H,6-12H2,1-5H3
InChIKeyIPXYHOGNNSVQNY-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.47
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Launch Full Analysis

Related Compounds

N-ethyl-2-(2-methylpentyl)-4-propan-2-ylcyclohexan-1-amine
CID 55186543
2-(diethylaminomethyl)-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 55197305
2-(4-methylpentyl)-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 83158482
2-(2-methoxyethyl)-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 62740231
2-[[methyl(pentyl)amino]methyl]-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 63482926
2-[(2-methylpyrrolidin-1-yl)methyl]-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 63483028
1-bromo-2-(2-methylbutyl)-4-propan-2-ylcyclohexane
CID 63471498
4-propan-2-yl-2-propan-2-ylsulfanyl-N-propylcyclohexan-1-amine
CID 64634442
2-butan-2-ylsulfinyl-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 64652319
2-[(4-bromothiophen-2-yl)methyl]-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 63401202
2-(2-ethylbutyl)-N,4-dipropylcyclohexan-1-amine
CID 82929498
2-N-cyclopentyl-2-N-methyl-4-propan-2-yl-1-N-propylcyclohexane-1,2-diamine
CID 63466974

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbutyl)-4-propan-2-yl-N-propylcyclohexan-1-amine?
The IUPAC name of 2-(2-methylbutyl)-4-propan-2-yl-N-propylcyclohexan-1-amine (CID 63401154) is 2-(2-methylbutyl)-4-propan-2-yl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-(2-methylbutyl)-4-propan-2-yl-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-(2-methylbutyl)-4-propan-2-yl-N-propylcyclohexan-1-amine is CCCNC1CCC(C(C)C)CC1CC(C)CC.
What is the InChIKey of 2-(2-methylbutyl)-4-propan-2-yl-N-propylcyclohexan-1-amine?
The InChIKey is IPXYHOGNNSVQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N/c1-6-10-18-17-9-8-15(13(3)4)12-16(17)11-14(5)7-2/h13-18H,6-12H2,1-5H3.
What are the key properties of 2-(2-methylbutyl)-4-propan-2-yl-N-propylcyclohexan-1-amine?
2-(2-methylbutyl)-4-propan-2-yl-N-propylcyclohexan-1-amine has a molecular weight of 253.47 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbutyl)-4-propan-2-yl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 63401154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).