N-[[4-tert-butyl-1-(3-methylbutoxy)cyclohexyl]methyl]propan-2-amine

C19H39NO — CID 63475880

IUPACN-[[4-tert-butyl-1-(3-methylbutoxy)cyclohexyl]methyl]propan-2-amine
SMILESCC(C)CCOC1(CNC(C)C)CCC(C(C)(C)C)CC1
InChIInChI=1S/C19H39NO/c1-15(2)10-13-21-19(14-20-16(3)4)11-8-17(9-12-19)18(5,6)7/h15-17,20H,8-14H2,1-7H3
InChIKeyULBZENKSUNWMAU-UHFFFAOYSA-N
MW297.53 g/mol
LogP5.02
Rot. Bonds7

About N-[[4-tert-butyl-1-(3-methylbutoxy)cyclohexyl]methyl]propan-2-amine

N-[[4-tert-butyl-1-(3-methylbutoxy)cyclohexyl]methyl]propan-2-amine (PubChem CID 63475880) has the molecular formula C19H39NO and a molecular weight of 297.53 g/mol. Its IUPAC name is N-[[4-tert-butyl-1-(3-methylbutoxy)cyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-tert-butyl-1-(3-methylbutoxy)cyclohexyl]methyl]propan-2-amine
PubChem CID63475880
Molecular FormulaC19H39NO
Molecular Weight297.53 g/mol
Exact Mass297.30
IUPAC NameN-[[4-tert-butyl-1-(3-methylbutoxy)cyclohexyl]methyl]propan-2-amine
SMILESCC(C)CCOC1(CNC(C)C)CCC(C(C)(C)C)CC1
InChIInChI=1S/C19H39NO/c1-15(2)10-13-21-19(14-20-16(3)4)11-8-17(9-12-19)18(5,6)7/h15-17,20H,8-14H2,1-7H3
InChIKeyULBZENKSUNWMAU-UHFFFAOYSA-N
XLogP5.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.53
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[4-tert-butyl-1-(3-methylbutoxy)cyclohexyl]methyl]propan-2-amine with MolForge

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Related Compounds

[4-tert-butyl-1-(3-methylbutoxy)cyclohexyl]methanamine
CID 55192678
N-[[1-(2-methoxyethoxy)-4-methylcyclohexyl]methyl]propan-2-amine
CID 62106730
N-[[1-(2,2-difluoroethoxy)-4-methylcyclohexyl]methyl]propan-2-amine
CID 82007335
N-[[4-methyl-1-[2-(2-methylpropoxy)ethoxy]cyclohexyl]methyl]propan-2-amine
CID 106449180
N-[[4-tert-butyl-1-(2,2-difluoroethoxy)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 82005818
N-[(4-tert-butyl-1-propoxycyclohexyl)methyl]-2-methylpropan-2-amine
CID 63473883
N-[[1-(3-methylbutoxy)cycloheptyl]methyl]cyclopropanamine
CID 55036334
N-[[4-methyl-1-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]propan-2-amine
CID 62108572
N-[[1-(3-methylbutoxy)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine
CID 63475515
N-[[4-tert-butyl-1-(2-methylpentoxy)cyclohexyl]methyl]ethanamine
CID 103285214
N-[[4-tert-butyl-1-(cyclopentylmethyl)cyclohexyl]methyl]propan-2-amine
CID 63508059
N-[[1-(2-propoxyethoxy)-4-propylcyclohexyl]methyl]propan-2-amine
CID 63686920

Frequently Asked Questions

What is the IUPAC name of N-[[4-tert-butyl-1-(3-methylbutoxy)cyclohexyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-tert-butyl-1-(3-methylbutoxy)cyclohexyl]methyl]propan-2-amine (CID 63475880) is N-[[4-tert-butyl-1-(3-methylbutoxy)cyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-tert-butyl-1-(3-methylbutoxy)cyclohexyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-tert-butyl-1-(3-methylbutoxy)cyclohexyl]methyl]propan-2-amine is CC(C)CCOC1(CNC(C)C)CCC(C(C)(C)C)CC1.
What is the InChIKey of N-[[4-tert-butyl-1-(3-methylbutoxy)cyclohexyl]methyl]propan-2-amine?
The InChIKey is ULBZENKSUNWMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO/c1-15(2)10-13-21-19(14-20-16(3)4)11-8-17(9-12-19)18(5,6)7/h15-17,20H,8-14H2,1-7H3.
What are the key properties of N-[[4-tert-butyl-1-(3-methylbutoxy)cyclohexyl]methyl]propan-2-amine?
N-[[4-tert-butyl-1-(3-methylbutoxy)cyclohexyl]methyl]propan-2-amine has a molecular weight of 297.53 g/mol, XLogP of 5.02, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-tert-butyl-1-(3-methylbutoxy)cyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 63475880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).