3-tert-butyl-N'-(2-cyclobutylethyl)hexane-1,6-diamine

C16H34N2 — CID 113478951

IUPAC3-tert-butyl-N'-(2-cyclobutylethyl)hexane-1,6-diamine
SMILESCC(C)(C)C(CCN)CCCNCCC1CCC1
InChIInChI=1S/C16H34N2/c1-16(2,3)15(9-11-17)8-5-12-18-13-10-14-6-4-7-14/h14-15,18H,4-13,17H2,1-3H3
InChIKeyJGTNOMLVVFIOIP-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.56
Rot. Bonds9

About 3-tert-butyl-N'-(2-cyclobutylethyl)hexane-1,6-diamine

3-tert-butyl-N'-(2-cyclobutylethyl)hexane-1,6-diamine (PubChem CID 113478951) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 3-tert-butyl-N'-(2-cyclobutylethyl)hexane-1,6-diamine.

Molecular Properties

Compound Name3-tert-butyl-N'-(2-cyclobutylethyl)hexane-1,6-diamine
PubChem CID113478951
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name3-tert-butyl-N'-(2-cyclobutylethyl)hexane-1,6-diamine
SMILESCC(C)(C)C(CCN)CCCNCCC1CCC1
InChIInChI=1S/C16H34N2/c1-16(2,3)15(9-11-17)8-5-12-18-13-10-14-6-4-7-14/h14-15,18H,4-13,17H2,1-3H3
InChIKeyJGTNOMLVVFIOIP-UHFFFAOYSA-N
XLogP3.56
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(2-cyclopentylethyl)ethane-1,2-diamine
CID 57274460
N-(2-cyclohexylethyl)-2-methylbutane-1,4-diamine
CID 115202800
N'-(4-cyclopentadecylbutyl)ethane-1,2-diamine
CID 159351931
N'-[2-(3-cyclodecylpropylamino)ethyl]ethane-1,2-diamine
CID 126513357
N-(2-cyclohexylethyl)butan-1-amine;hydrochloride
CID 57440786
N-(2-cyclohexylethyl)-2,2-dimethylbutane-1,4-diamine
CID 115204587
4-methyl-1-N-[2-(1-methylpiperidin-3-yl)ethyl]pentane-1,4-diamine
CID 115205476
N'-(4,5,5-trimethylhexyl)ethane-1,2-diamine
CID 137382586
4-(2-cyclobutylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 104864449
N-(2-cyclopentylethyl)-3-methoxypropan-1-amine
CID 54856807
N-(2-cyclopropylethyl)-3-fluoropropan-1-amine
CID 81106705
2-(cyclohexylmethyl)-3,3-dimethylbutan-1-amine
CID 83138887

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N'-(2-cyclobutylethyl)hexane-1,6-diamine?
The IUPAC name of 3-tert-butyl-N'-(2-cyclobutylethyl)hexane-1,6-diamine (CID 113478951) is 3-tert-butyl-N'-(2-cyclobutylethyl)hexane-1,6-diamine.
What is the SMILES notation for 3-tert-butyl-N'-(2-cyclobutylethyl)hexane-1,6-diamine?
The canonical SMILES for 3-tert-butyl-N'-(2-cyclobutylethyl)hexane-1,6-diamine is CC(C)(C)C(CCN)CCCNCCC1CCC1.
What is the InChIKey of 3-tert-butyl-N'-(2-cyclobutylethyl)hexane-1,6-diamine?
The InChIKey is JGTNOMLVVFIOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-16(2,3)15(9-11-17)8-5-12-18-13-10-14-6-4-7-14/h14-15,18H,4-13,17H2,1-3H3.
What are the key properties of 3-tert-butyl-N'-(2-cyclobutylethyl)hexane-1,6-diamine?
3-tert-butyl-N'-(2-cyclobutylethyl)hexane-1,6-diamine has a molecular weight of 254.46 g/mol, XLogP of 3.56, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N'-(2-cyclobutylethyl)hexane-1,6-diamine is sourced from PubChem (CID 113478951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).