N-[(1-butan-2-yloxy-4-propan-2-ylcyclohexyl)methyl]propan-2-amine

C17H35NO — CID 63473886

IUPACN-[(1-butan-2-yloxy-4-propan-2-ylcyclohexyl)methyl]propan-2-amine
SMILESCCC(C)OC1(CNC(C)C)CCC(C(C)C)CC1
InChIInChI=1S/C17H35NO/c1-7-15(6)19-17(12-18-14(4)5)10-8-16(9-11-17)13(2)3/h13-16,18H,7-12H2,1-6H3
InChIKeyHCHDZVXLOHDODE-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.38
Rot. Bonds7

About N-[(1-butan-2-yloxy-4-propan-2-ylcyclohexyl)methyl]propan-2-amine

N-[(1-butan-2-yloxy-4-propan-2-ylcyclohexyl)methyl]propan-2-amine (PubChem CID 63473886) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is N-[(1-butan-2-yloxy-4-propan-2-ylcyclohexyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(1-butan-2-yloxy-4-propan-2-ylcyclohexyl)methyl]propan-2-amine
PubChem CID63473886
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC NameN-[(1-butan-2-yloxy-4-propan-2-ylcyclohexyl)methyl]propan-2-amine
SMILESCCC(C)OC1(CNC(C)C)CCC(C(C)C)CC1
InChIInChI=1S/C17H35NO/c1-7-15(6)19-17(12-18-14(4)5)10-8-16(9-11-17)13(2)3/h13-16,18H,7-12H2,1-6H3
InChIKeyHCHDZVXLOHDODE-UHFFFAOYSA-N
XLogP4.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1-butan-2-yloxy-4-propan-2-ylcyclohexyl)methyl]propan-2-amine with MolForge

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Related Compounds

N-[(1-butan-2-yloxy-4-propylcyclohexyl)methyl]propan-2-amine
CID 63473518
N-[(1-butan-2-yloxycycloheptyl)methyl]propan-2-amine
CID 62106260
N-[(1-pentan-2-yloxy-4-propan-2-ylcyclohexyl)methyl]ethanamine
CID 102984714
1-(1-butan-2-yloxy-4-tert-butylcyclohexyl)-N-methylmethanamine
CID 62108397
N-[(1-propan-2-yloxycyclohexyl)methyl]propan-2-amine
CID 62107127
4-propan-2-yl-1-[(propan-2-ylamino)methyl]cycloheptan-1-ol
CID 65090686
N-[(1-butan-2-yloxy-4-propylcyclohexyl)methyl]cyclopropanamine
CID 55194013
N-[(1-ethoxy-4-propan-2-ylcyclohexyl)methyl]ethanamine
CID 62108168
N-[[4-methyl-1-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]propan-2-amine
CID 62108572
N-[[1-(2,2-difluoroethoxy)-4-ethylcyclohexyl]methyl]propan-2-amine
CID 82007464
N-[(1-cyclobutyloxy-4-propan-2-ylcyclohexyl)methyl]cyclopropanamine
CID 55066097
N-[(1-cycloheptyloxycycloheptyl)methyl]propan-2-amine
CID 63473769

Frequently Asked Questions

What is the IUPAC name of N-[(1-butan-2-yloxy-4-propan-2-ylcyclohexyl)methyl]propan-2-amine?
The IUPAC name of N-[(1-butan-2-yloxy-4-propan-2-ylcyclohexyl)methyl]propan-2-amine (CID 63473886) is N-[(1-butan-2-yloxy-4-propan-2-ylcyclohexyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(1-butan-2-yloxy-4-propan-2-ylcyclohexyl)methyl]propan-2-amine?
The canonical SMILES for N-[(1-butan-2-yloxy-4-propan-2-ylcyclohexyl)methyl]propan-2-amine is CCC(C)OC1(CNC(C)C)CCC(C(C)C)CC1.
What is the InChIKey of N-[(1-butan-2-yloxy-4-propan-2-ylcyclohexyl)methyl]propan-2-amine?
The InChIKey is HCHDZVXLOHDODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-7-15(6)19-17(12-18-14(4)5)10-8-16(9-11-17)13(2)3/h13-16,18H,7-12H2,1-6H3.
What are the key properties of N-[(1-butan-2-yloxy-4-propan-2-ylcyclohexyl)methyl]propan-2-amine?
N-[(1-butan-2-yloxy-4-propan-2-ylcyclohexyl)methyl]propan-2-amine has a molecular weight of 269.47 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-butan-2-yloxy-4-propan-2-ylcyclohexyl)methyl]propan-2-amine is sourced from PubChem (CID 63473886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).