4-tert-butyl-N-[(1-ethylcyclobutyl)methyl]cyclohexan-1-amine

C17H33N — CID 114107440

IUPAC4-tert-butyl-N-[(1-ethylcyclobutyl)methyl]cyclohexan-1-amine
SMILESCCC1(CNC2CCC(C(C)(C)C)CC2)CCC1
InChIInChI=1S/C17H33N/c1-5-17(11-6-12-17)13-18-15-9-7-14(8-10-15)16(2,3)4/h14-15,18H,5-13H2,1-4H3
InChIKeyHYDAJIFVEYTYEH-UHFFFAOYSA-N
MW251.46 g/mol
LogP4.76
Rot. Bonds4

About 4-tert-butyl-N-[(1-ethylcyclobutyl)methyl]cyclohexan-1-amine

4-tert-butyl-N-[(1-ethylcyclobutyl)methyl]cyclohexan-1-amine (PubChem CID 114107440) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is 4-tert-butyl-N-[(1-ethylcyclobutyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-N-[(1-ethylcyclobutyl)methyl]cyclohexan-1-amine
PubChem CID114107440
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC Name4-tert-butyl-N-[(1-ethylcyclobutyl)methyl]cyclohexan-1-amine
SMILESCCC1(CNC2CCC(C(C)(C)C)CC2)CCC1
InChIInChI=1S/C17H33N/c1-5-17(11-6-12-17)13-18-15-9-7-14(8-10-15)16(2,3)4/h14-15,18H,5-13H2,1-4H3
InChIKeyHYDAJIFVEYTYEH-UHFFFAOYSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.46
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-tert-butyl-1-propylcyclohexyl)methyl]cyclopropanamine
CID 55197381
N-[[4-tert-butyl-1-(cyclopentylmethyl)cyclohexyl]methyl]cyclopropanamine
CID 63508585
[1-[[(4-tert-butylcycloheptyl)amino]methyl]cyclopropyl]methanol
CID 115320185
N-[(4-tert-butyl-1-hexylcyclohexyl)methyl]cyclopropanamine
CID 63507892
N-[[4-tert-butyl-1-(3-methoxypropyl)cyclohexyl]methyl]cyclopropanamine
CID 62725035
N-[(1-ethylcyclopentyl)methyl]-3-methylcyclobutan-1-amine
CID 104859882
N-[(4-tert-butyl-1-methoxycyclohexyl)methyl]cyclopropanamine
CID 62106401
N-[[4-tert-butyl-1-(thiophen-3-ylmethyl)cyclohexyl]methyl]cyclopropanamine
CID 63507890
N-[[4-tert-butyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine
CID 62109243
N-[[1-(3-methoxypropyl)cyclobutyl]methyl]cyclopropanamine
CID 65194954
N-[[1-(2-tert-butylsulfonylethyl)cyclohexyl]methyl]cyclopropanamine
CID 106729855
N-[(1-ethylcyclobutyl)methyl]-1-propan-2-ylpyrrolidin-3-amine
CID 115689744

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(1-ethylcyclobutyl)methyl]cyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-N-[(1-ethylcyclobutyl)methyl]cyclohexan-1-amine (CID 114107440) is 4-tert-butyl-N-[(1-ethylcyclobutyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-N-[(1-ethylcyclobutyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-N-[(1-ethylcyclobutyl)methyl]cyclohexan-1-amine is CCC1(CNC2CCC(C(C)(C)C)CC2)CCC1.
What is the InChIKey of 4-tert-butyl-N-[(1-ethylcyclobutyl)methyl]cyclohexan-1-amine?
The InChIKey is HYDAJIFVEYTYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N/c1-5-17(11-6-12-17)13-18-15-9-7-14(8-10-15)16(2,3)4/h14-15,18H,5-13H2,1-4H3.
What are the key properties of 4-tert-butyl-N-[(1-ethylcyclobutyl)methyl]cyclohexan-1-amine?
4-tert-butyl-N-[(1-ethylcyclobutyl)methyl]cyclohexan-1-amine has a molecular weight of 251.46 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(1-ethylcyclobutyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 114107440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).