N-[(4-tert-butyl-1-propoxycyclohexyl)methyl]-2-methylpropan-2-amine

C18H37NO — CID 63473883

IUPACN-[(4-tert-butyl-1-propoxycyclohexyl)methyl]-2-methylpropan-2-amine
SMILESCCCOC1(CNC(C)(C)C)CCC(C(C)(C)C)CC1
InChIInChI=1S/C18H37NO/c1-8-13-20-18(14-19-17(5,6)7)11-9-15(10-12-18)16(2,3)4/h15,19H,8-14H2,1-7H3
InChIKeyNYFYCMMIFLTIGZ-UHFFFAOYSA-N
MW283.50 g/mol
LogP4.78
Rot. Bonds5

About N-[(4-tert-butyl-1-propoxycyclohexyl)methyl]-2-methylpropan-2-amine

N-[(4-tert-butyl-1-propoxycyclohexyl)methyl]-2-methylpropan-2-amine (PubChem CID 63473883) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is N-[(4-tert-butyl-1-propoxycyclohexyl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(4-tert-butyl-1-propoxycyclohexyl)methyl]-2-methylpropan-2-amine
PubChem CID63473883
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC NameN-[(4-tert-butyl-1-propoxycyclohexyl)methyl]-2-methylpropan-2-amine
SMILESCCCOC1(CNC(C)(C)C)CCC(C(C)(C)C)CC1
InChIInChI=1S/C18H37NO/c1-8-13-20-18(14-19-17(5,6)7)11-9-15(10-12-18)16(2,3)4/h15,19H,8-14H2,1-7H3
InChIKeyNYFYCMMIFLTIGZ-UHFFFAOYSA-N
XLogP4.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[(1-propoxycyclopentyl)methyl]propan-2-amine
CID 62107466
N-[[4-tert-butyl-1-(cyclopropylmethoxy)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 63474782
N-[[4-tert-butyl-1-(2,2-difluoroethoxy)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 82005818
1-(4-tert-butyl-1-heptoxycyclohexyl)-N-methylmethanamine
CID 63474629
4-tert-butyl-1-methyl-1-propoxycyclohexane
CID 166671963
N-[[4-tert-butyl-1-(cyclopropylmethoxy)cyclohexyl]methyl]propan-1-amine
CID 63474602
N-[[1-(3,3-dimethylbutoxy)-4-ethylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 66226002
1-(bromomethyl)-1-butoxy-4-tert-butylcyclohexane
CID 63468622
2-methyl-N-[(1-octoxycyclohexyl)methyl]propan-2-amine
CID 63476269
N-[[4-tert-butyl-1-(3-methylbutoxy)cyclohexyl]methyl]propan-2-amine
CID 63475880
N-[(1-methoxy-4-methylcyclohexyl)methyl]-2-methylpropan-2-amine
CID 62108177
N-[[4-tert-butyl-1-(trimethylsilylmethyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 106323491

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butyl-1-propoxycyclohexyl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(4-tert-butyl-1-propoxycyclohexyl)methyl]-2-methylpropan-2-amine (CID 63473883) is N-[(4-tert-butyl-1-propoxycyclohexyl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(4-tert-butyl-1-propoxycyclohexyl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(4-tert-butyl-1-propoxycyclohexyl)methyl]-2-methylpropan-2-amine is CCCOC1(CNC(C)(C)C)CCC(C(C)(C)C)CC1.
What is the InChIKey of N-[(4-tert-butyl-1-propoxycyclohexyl)methyl]-2-methylpropan-2-amine?
The InChIKey is NYFYCMMIFLTIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO/c1-8-13-20-18(14-19-17(5,6)7)11-9-15(10-12-18)16(2,3)4/h15,19H,8-14H2,1-7H3.
What are the key properties of N-[(4-tert-butyl-1-propoxycyclohexyl)methyl]-2-methylpropan-2-amine?
N-[(4-tert-butyl-1-propoxycyclohexyl)methyl]-2-methylpropan-2-amine has a molecular weight of 283.50 g/mol, XLogP of 4.78, 5 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-propoxycyclohexyl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63473883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).