N-(4-tert-butylcyclohex-3-en-1-yl)-N-methyl-2-oxaspiro[3.3]heptan-6-amine

C17H29NO — CID 177265342

IUPACN-(4-tert-butylcyclohex-3-en-1-yl)-N-methyl-2-oxaspiro[3.3]heptan-6-amine
SMILESCN(C1CC=C(C(C)(C)C)CC1)C1CC2(COC2)C1
InChIInChI=1S/C17H29NO/c1-16(2,3)13-5-7-14(8-6-13)18(4)15-9-17(10-15)11-19-12-17/h5,14-15H,6-12H2,1-4H3
InChIKeyMZMNUTRTEBHFQV-UHFFFAOYSA-N
MW263.42 g/mol
LogP3.62
Rot. Bonds2

About N-(4-tert-butylcyclohex-3-en-1-yl)-N-methyl-2-oxaspiro[3.3]heptan-6-amine

N-(4-tert-butylcyclohex-3-en-1-yl)-N-methyl-2-oxaspiro[3.3]heptan-6-amine (PubChem CID 177265342) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is N-(4-tert-butylcyclohex-3-en-1-yl)-N-methyl-2-oxaspiro[3.3]heptan-6-amine.

Molecular Properties

Compound NameN-(4-tert-butylcyclohex-3-en-1-yl)-N-methyl-2-oxaspiro[3.3]heptan-6-amine
PubChem CID177265342
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC NameN-(4-tert-butylcyclohex-3-en-1-yl)-N-methyl-2-oxaspiro[3.3]heptan-6-amine
SMILESCN(C1CC=C(C(C)(C)C)CC1)C1CC2(COC2)C1
InChIInChI=1S/C17H29NO/c1-16(2,3)13-5-7-14(8-6-13)18(4)15-9-17(10-15)11-19-12-17/h5,14-15H,6-12H2,1-4H3
InChIKeyMZMNUTRTEBHFQV-UHFFFAOYSA-N
XLogP3.62
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-tert-butylcyclohex-3-en-1-yl)-N-methyl-2-oxaspiro[3.3]heptan-6-amine with MolForge

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Related Compounds

N-[(1S)-4-tert-butylcyclohex-3-en-1-yl]-N-methyloxetan-3-amine
CID 164769229
N-(4-tert-butylcyclohex-3-en-1-yl)-N-methyloxetan-3-amine
CID 164769252
N-[(1R)-4-tert-butylcyclohex-3-en-1-yl]-N-methyloxetan-3-amine
CID 167068252
N-(4-tert-butylcyclohex-3-en-1-yl)-2-oxaspiro[3.3]heptan-6-amine
CID 177265358
N-(3-tert-butylcyclohex-2-en-1-yl)-2-oxaspiro[3.3]heptan-6-amine
CID 177265546
5-tert-butyl-1-(2-oxaspiro[3.3]heptan-6-yl)-3,6-dihydro-2H-pyridine
CID 177265556
4-tert-butyl-1-(2-oxaspiro[3.3]heptan-6-yl)-3,6-dihydro-2H-pyridine
CID 177265644
ethane;N-methyl-N-(4-methylcyclohex-3-en-1-yl)-2-oxaspiro[3.3]heptan-6-amine
CID 177317114
methanamine;N-(4-methylcyclohex-3-en-1-yl)-2-oxaspiro[3.3]heptan-6-amine
CID 177317182
ethane;4-methyl-1-(2-oxaspiro[3.3]heptan-6-yl)-3,6-dihydro-2H-pyridine
CID 177317329
N-methyl-N-(4-methylcyclohex-3-en-1-yl)-2-oxaspiro[3.3]heptan-6-amine
CID 177317115
N-(4-methylcyclohex-3-en-1-yl)-2-oxaspiro[3.3]heptan-6-amine
CID 177317183

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylcyclohex-3-en-1-yl)-N-methyl-2-oxaspiro[3.3]heptan-6-amine?
The IUPAC name of N-(4-tert-butylcyclohex-3-en-1-yl)-N-methyl-2-oxaspiro[3.3]heptan-6-amine (CID 177265342) is N-(4-tert-butylcyclohex-3-en-1-yl)-N-methyl-2-oxaspiro[3.3]heptan-6-amine.
What is the SMILES notation for N-(4-tert-butylcyclohex-3-en-1-yl)-N-methyl-2-oxaspiro[3.3]heptan-6-amine?
The canonical SMILES for N-(4-tert-butylcyclohex-3-en-1-yl)-N-methyl-2-oxaspiro[3.3]heptan-6-amine is CN(C1CC=C(C(C)(C)C)CC1)C1CC2(COC2)C1.
What is the InChIKey of N-(4-tert-butylcyclohex-3-en-1-yl)-N-methyl-2-oxaspiro[3.3]heptan-6-amine?
The InChIKey is MZMNUTRTEBHFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-16(2,3)13-5-7-14(8-6-13)18(4)15-9-17(10-15)11-19-12-17/h5,14-15H,6-12H2,1-4H3.
What are the key properties of N-(4-tert-butylcyclohex-3-en-1-yl)-N-methyl-2-oxaspiro[3.3]heptan-6-amine?
N-(4-tert-butylcyclohex-3-en-1-yl)-N-methyl-2-oxaspiro[3.3]heptan-6-amine has a molecular weight of 263.42 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylcyclohex-3-en-1-yl)-N-methyl-2-oxaspiro[3.3]heptan-6-amine is sourced from PubChem (CID 177265342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).