N-tert-butyl-4-[2-(tert-butylamino)ethyl]cyclohexan-1-amine

C16H34N2 — CID 121476891

IUPACN-tert-butyl-4-[2-(tert-butylamino)ethyl]cyclohexan-1-amine
SMILESCC(C)(C)NCCC1CCC(NC(C)(C)C)CC1
InChIInChI=1S/C16H34N2/c1-15(2,3)17-12-11-13-7-9-14(10-8-13)18-16(4,5)6/h13-14,17-18H,7-12H2,1-6H3
InChIKeyHLQSNWXYNVZMSC-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.71
Rot. Bonds4

About N-tert-butyl-4-[2-(tert-butylamino)ethyl]cyclohexan-1-amine

N-tert-butyl-4-[2-(tert-butylamino)ethyl]cyclohexan-1-amine (PubChem CID 121476891) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is N-tert-butyl-4-[2-(tert-butylamino)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-[2-(tert-butylamino)ethyl]cyclohexan-1-amine
PubChem CID121476891
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC NameN-tert-butyl-4-[2-(tert-butylamino)ethyl]cyclohexan-1-amine
SMILESCC(C)(C)NCCC1CCC(NC(C)(C)C)CC1
InChIInChI=1S/C16H34N2/c1-15(2,3)17-12-11-13-7-9-14(10-8-13)18-16(4,5)6/h13-14,17-18H,7-12H2,1-6H3
InChIKeyHLQSNWXYNVZMSC-UHFFFAOYSA-N
XLogP3.71
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,4-N-ditert-butylcyclohexane-1,4-diamine
CID 59732223
N'-tert-butyl-N-(2-cyclopropylethyl)ethane-1,2-diamine
CID 79257227
N-tert-butylcyclopropanamine;hydrochloride
CID 55284152
2-[4-(tert-butylamino)cyclohexyl]acetaldehyde
CID 175732114
N-(2-cyclopropylethyl)-3-methylpentan-3-amine
CID 103746662
N-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]cyclohexan-1-amine
CID 58109911
N-tert-butylcyclobutanamine;N-tert-butylcyclohexanamine;N-tert-butylcyclopentanamine;N-tert-butylcyclopropanamine
CID 158164936
N-tert-butyl-1-(cyclopropylmethyl)piperidin-4-amine
CID 58365059
3-(2-cyclopropylethylamino)-2,3-dimethylbutan-2-ol
CID 103993555
N-tert-butyl-4-[2-(cyclohexylamino)-2-methylpropyl]cycloheptan-1-amine
CID 130444257
N-tert-butyl-4-(4-tert-butylcyclohexyl)butan-1-amine
CID 104575984
N'-tert-butyl-N-cyclopropyloctane-1,8-diamine
CID 66338082

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[2-(tert-butylamino)ethyl]cyclohexan-1-amine?
The IUPAC name of N-tert-butyl-4-[2-(tert-butylamino)ethyl]cyclohexan-1-amine (CID 121476891) is N-tert-butyl-4-[2-(tert-butylamino)ethyl]cyclohexan-1-amine.
What is the SMILES notation for N-tert-butyl-4-[2-(tert-butylamino)ethyl]cyclohexan-1-amine?
The canonical SMILES for N-tert-butyl-4-[2-(tert-butylamino)ethyl]cyclohexan-1-amine is CC(C)(C)NCCC1CCC(NC(C)(C)C)CC1.
What is the InChIKey of N-tert-butyl-4-[2-(tert-butylamino)ethyl]cyclohexan-1-amine?
The InChIKey is HLQSNWXYNVZMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-15(2,3)17-12-11-13-7-9-14(10-8-13)18-16(4,5)6/h13-14,17-18H,7-12H2,1-6H3.
What are the key properties of N-tert-butyl-4-[2-(tert-butylamino)ethyl]cyclohexan-1-amine?
N-tert-butyl-4-[2-(tert-butylamino)ethyl]cyclohexan-1-amine has a molecular weight of 254.46 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[2-(tert-butylamino)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 121476891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).