2-[(2-methylpropan-2-yl)oxy]-4-propan-2-yl-N-propylcyclohexan-1-amine

C16H33NO — CID 62708059

IUPAC2-[(2-methylpropan-2-yl)oxy]-4-propan-2-yl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C(C)C)CC1OC(C)(C)C
InChIInChI=1S/C16H33NO/c1-7-10-17-14-9-8-13(12(2)3)11-15(14)18-16(4,5)6/h12-15,17H,7-11H2,1-6H3
InChIKeyPFGMVWFCTKAFDY-UHFFFAOYSA-N
MW255.45 g/mol
LogP3.99
Rot. Bonds5

About 2-[(2-methylpropan-2-yl)oxy]-4-propan-2-yl-N-propylcyclohexan-1-amine

2-[(2-methylpropan-2-yl)oxy]-4-propan-2-yl-N-propylcyclohexan-1-amine (PubChem CID 62708059) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxy]-4-propan-2-yl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxy]-4-propan-2-yl-N-propylcyclohexan-1-amine
PubChem CID62708059
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name2-[(2-methylpropan-2-yl)oxy]-4-propan-2-yl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C(C)C)CC1OC(C)(C)C
InChIInChI=1S/C16H33NO/c1-7-10-17-14-9-8-13(12(2)3)11-15(14)18-16(4,5)6/h12-15,17H,7-11H2,1-6H3
InChIKeyPFGMVWFCTKAFDY-UHFFFAOYSA-N
XLogP3.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methylbutoxy)-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 63474366
4-propan-2-yl-N-propyl-2-(3,3,3-trifluoropropoxy)cyclohexan-1-amine
CID 82954256
2-(2-methylpentoxy)-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 103283261
2-[(2-methylpropan-2-yl)oxy]-N-propylcyclododecan-1-amine
CID 63475623
4-propan-2-yl-2-propan-2-ylsulfanyl-N-propylcyclohexan-1-amine
CID 64634442
2-(2-methoxyethyl)-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 62740231
2-(2-methylbutyl)-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 63401154
2-(diethylaminomethyl)-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 55197305
2-N-(1-cyclopropylethyl)-2-N-methyl-4-propan-2-yl-1-N-propylcyclohexane-1,2-diamine
CID 63470088
2-(4-methylpentyl)-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 83158482
2-butan-2-ylsulfinyl-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 64652319
2-N-cyclopropyl-4-propan-2-yl-1-N,2-N-dipropylcyclohexane-1,2-diamine
CID 63465920

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-4-propan-2-yl-N-propylcyclohexan-1-amine?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-4-propan-2-yl-N-propylcyclohexan-1-amine (CID 62708059) is 2-[(2-methylpropan-2-yl)oxy]-4-propan-2-yl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxy]-4-propan-2-yl-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxy]-4-propan-2-yl-N-propylcyclohexan-1-amine is CCCNC1CCC(C(C)C)CC1OC(C)(C)C.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxy]-4-propan-2-yl-N-propylcyclohexan-1-amine?
The InChIKey is PFGMVWFCTKAFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-7-10-17-14-9-8-13(12(2)3)11-15(14)18-16(4,5)6/h12-15,17H,7-11H2,1-6H3.
What are the key properties of 2-[(2-methylpropan-2-yl)oxy]-4-propan-2-yl-N-propylcyclohexan-1-amine?
2-[(2-methylpropan-2-yl)oxy]-4-propan-2-yl-N-propylcyclohexan-1-amine has a molecular weight of 255.45 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxy]-4-propan-2-yl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 62708059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).