2-(3-methylbutoxy)-4-propan-2-yl-N-propylcyclohexan-1-amine

C17H35NO — CID 63474366

IUPAC2-(3-methylbutoxy)-4-propan-2-yl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C(C)C)CC1OCCC(C)C
InChIInChI=1S/C17H35NO/c1-6-10-18-16-8-7-15(14(4)5)12-17(16)19-11-9-13(2)3/h13-18H,6-12H2,1-5H3
InChIKeyDCUDLBUVUZCPOO-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.24
Rot. Bonds8

About 2-(3-methylbutoxy)-4-propan-2-yl-N-propylcyclohexan-1-amine

2-(3-methylbutoxy)-4-propan-2-yl-N-propylcyclohexan-1-amine (PubChem CID 63474366) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is 2-(3-methylbutoxy)-4-propan-2-yl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(3-methylbutoxy)-4-propan-2-yl-N-propylcyclohexan-1-amine
PubChem CID63474366
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC Name2-(3-methylbutoxy)-4-propan-2-yl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C(C)C)CC1OCCC(C)C
InChIInChI=1S/C17H35NO/c1-6-10-18-16-8-7-15(14(4)5)12-17(16)19-11-9-13(2)3/h13-18H,6-12H2,1-5H3
InChIKeyDCUDLBUVUZCPOO-UHFFFAOYSA-N
XLogP4.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
4-tert-butyl-2-(3-methylbutoxy)-N-propylcyclohexan-1-amine
CID 63473832
2-[(2-methylpropan-2-yl)oxy]-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 62708059
3-(3-methylbutoxy)-2-propoxy-N-propylcyclobutan-1-amine
CID 114018986
2-(4-methylpentyl)-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 83158482
2-(3-methylbutoxy)-4-propan-2-ylcyclohexan-1-ol
CID 62708284
2-(2-methoxyethyl)-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 62740231
4-propan-2-yl-2-propan-2-ylsulfanyl-N-propylcyclohexan-1-amine
CID 64634442
2-(2-methylbutyl)-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 63401154
2-[2-(2-methylpropoxy)ethoxy]-N,4-dipropylcyclohexan-1-amine
CID 106447149
2-(diethylaminomethyl)-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 55197305

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutoxy)-4-propan-2-yl-N-propylcyclohexan-1-amine?
The IUPAC name of 2-(3-methylbutoxy)-4-propan-2-yl-N-propylcyclohexan-1-amine (CID 63474366) is 2-(3-methylbutoxy)-4-propan-2-yl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-(3-methylbutoxy)-4-propan-2-yl-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-(3-methylbutoxy)-4-propan-2-yl-N-propylcyclohexan-1-amine is CCCNC1CCC(C(C)C)CC1OCCC(C)C.
What is the InChIKey of 2-(3-methylbutoxy)-4-propan-2-yl-N-propylcyclohexan-1-amine?
The InChIKey is DCUDLBUVUZCPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-6-10-18-16-8-7-15(14(4)5)12-17(16)19-11-9-13(2)3/h13-18H,6-12H2,1-5H3.
What are the key properties of 2-(3-methylbutoxy)-4-propan-2-yl-N-propylcyclohexan-1-amine?
2-(3-methylbutoxy)-4-propan-2-yl-N-propylcyclohexan-1-amine has a molecular weight of 269.47 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutoxy)-4-propan-2-yl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 63474366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).