N-tert-butyl-3-cyclooctyl-2-methylprop-2-en-1-amine

C16H31N — CID 114207977

IUPACN-tert-butyl-3-cyclooctyl-2-methylprop-2-en-1-amine
SMILESCC(=CC1CCCCCCC1)CNC(C)(C)C
InChIInChI=1S/C16H31N/c1-14(13-17-16(2,3)4)12-15-10-8-6-5-7-9-11-15/h12,15,17H,5-11,13H2,1-4H3
InChIKeyBCLPZBMVTZYVFQ-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.68
Rot. Bonds3

About N-tert-butyl-3-cyclooctyl-2-methylprop-2-en-1-amine

N-tert-butyl-3-cyclooctyl-2-methylprop-2-en-1-amine (PubChem CID 114207977) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is N-tert-butyl-3-cyclooctyl-2-methylprop-2-en-1-amine.

Molecular Properties

Compound NameN-tert-butyl-3-cyclooctyl-2-methylprop-2-en-1-amine
PubChem CID114207977
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC NameN-tert-butyl-3-cyclooctyl-2-methylprop-2-en-1-amine
SMILESCC(=CC1CCCCCCC1)CNC(C)(C)C
InChIInChI=1S/C16H31N/c1-14(13-17-16(2,3)4)12-15-10-8-6-5-7-9-11-15/h12,15,17H,5-11,13H2,1-4H3
InChIKeyBCLPZBMVTZYVFQ-UHFFFAOYSA-N
XLogP4.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-cyclopentyl-N-ethyl-2-methylprop-2-en-1-amine
CID 79340901
[(E)-3-iodo-2-methylprop-1-enyl]cyclohexane
CID 91620287
[(E)-3-bromo-2-methylprop-1-enyl]cyclohexane
CID 131275429
3-cyclopentyl-2-methylprop-2-en-1-ol
CID 79334568
N-tert-butyl-2-(cyclopropylmethylidene)butan-1-amine
CID 79330249
(E)-3-cyclobutyl-2-methylprop-2-en-1-amine
CID 131543133
2-(tert-butylamino)-N,N-dicyclohexylacetamide
CID 78907368
N-[(E)-2-cyclohexyl-3-(oxolan-2-yl)prop-2-enyl]-2-methylpropan-2-amine
CID 82837153
5-cyclopentyl-4-methylpent-4-enal
CID 78076892
2-(3-cyclohexyl-2-methylprop-2-enyl)piperidine
CID 104855420
2,2-difluoroethenylcyclohexane
CID 22182864
4-(tert-butylamino)-3-methylbut-2-enoic acid
CID 103235172

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-cyclooctyl-2-methylprop-2-en-1-amine?
The IUPAC name of N-tert-butyl-3-cyclooctyl-2-methylprop-2-en-1-amine (CID 114207977) is N-tert-butyl-3-cyclooctyl-2-methylprop-2-en-1-amine.
What is the SMILES notation for N-tert-butyl-3-cyclooctyl-2-methylprop-2-en-1-amine?
The canonical SMILES for N-tert-butyl-3-cyclooctyl-2-methylprop-2-en-1-amine is CC(=CC1CCCCCCC1)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-3-cyclooctyl-2-methylprop-2-en-1-amine?
The InChIKey is BCLPZBMVTZYVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-14(13-17-16(2,3)4)12-15-10-8-6-5-7-9-11-15/h12,15,17H,5-11,13H2,1-4H3.
What are the key properties of N-tert-butyl-3-cyclooctyl-2-methylprop-2-en-1-amine?
N-tert-butyl-3-cyclooctyl-2-methylprop-2-en-1-amine has a molecular weight of 237.43 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-cyclooctyl-2-methylprop-2-en-1-amine is sourced from PubChem (CID 114207977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).