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

C18H37NO — CID 103283261

IUPAC2-(2-methylpentoxy)-4-propan-2-yl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C(C)C)CC1OCC(C)CCC
InChIInChI=1S/C18H37NO/c1-6-8-15(5)13-20-18-12-16(14(3)4)9-10-17(18)19-11-7-2/h14-19H,6-13H2,1-5H3
InChIKeyDLAKMKLPKAUORW-UHFFFAOYSA-N
MW283.50 g/mol
LogP4.63
Rot. Bonds9

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

2-(2-methylpentoxy)-4-propan-2-yl-N-propylcyclohexan-1-amine (PubChem CID 103283261) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is 2-(2-methylpentoxy)-4-propan-2-yl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(2-methylpentoxy)-4-propan-2-yl-N-propylcyclohexan-1-amine
PubChem CID103283261
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC Name2-(2-methylpentoxy)-4-propan-2-yl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C(C)C)CC1OCC(C)CCC
InChIInChI=1S/C18H37NO/c1-6-8-15(5)13-20-18-12-16(14(3)4)9-10-17(18)19-11-7-2/h14-19H,6-13H2,1-5H3
InChIKeyDLAKMKLPKAUORW-UHFFFAOYSA-N
XLogP4.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 54.63
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-methylpropan-2-yl)oxy]-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 62708059
N-ethyl-2-(2-methylpentoxy)-4-propylcyclohexan-1-amine
CID 103283501
2-(4-methylpentyl)-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 83158482
2-(2-methylbutyl)-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 63401154
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
N-ethyl-2-(2-methylpentyl)-4-propan-2-ylcyclohexan-1-amine
CID 55186543
2-[2-(2-methylpropoxy)ethoxy]-N,4-dipropylcyclohexan-1-amine
CID 106447149
2-(4-methylpiperazin-1-yl)-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 62703151
4-tert-butyl-2-(3-methylbutoxy)-N-propylcyclohexan-1-amine
CID 63473832

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpentoxy)-4-propan-2-yl-N-propylcyclohexan-1-amine?
The IUPAC name of 2-(2-methylpentoxy)-4-propan-2-yl-N-propylcyclohexan-1-amine (CID 103283261) is 2-(2-methylpentoxy)-4-propan-2-yl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-(2-methylpentoxy)-4-propan-2-yl-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-(2-methylpentoxy)-4-propan-2-yl-N-propylcyclohexan-1-amine is CCCNC1CCC(C(C)C)CC1OCC(C)CCC.
What is the InChIKey of 2-(2-methylpentoxy)-4-propan-2-yl-N-propylcyclohexan-1-amine?
The InChIKey is DLAKMKLPKAUORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO/c1-6-8-15(5)13-20-18-12-16(14(3)4)9-10-17(18)19-11-7-2/h14-19H,6-13H2,1-5H3.
What are the key properties of 2-(2-methylpentoxy)-4-propan-2-yl-N-propylcyclohexan-1-amine?
2-(2-methylpentoxy)-4-propan-2-yl-N-propylcyclohexan-1-amine has a molecular weight of 283.50 g/mol, XLogP of 4.63, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpentoxy)-4-propan-2-yl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 103283261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).