N-tert-butyl-2-ethenyl-6-methoxy-2-methylhexan-1-amine

C14H29NO — CID 102641435

IUPACN-tert-butyl-2-ethenyl-6-methoxy-2-methylhexan-1-amine
SMILESC=CC(C)(CCCCOC)CNC(C)(C)C
InChIInChI=1S/C14H29NO/c1-7-14(5,10-8-9-11-16-6)12-15-13(2,3)4/h7,15H,1,8-12H2,2-6H3
InChIKeyNKZIBNICPWVRLP-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.38
Rot. Bonds8

About N-tert-butyl-2-ethenyl-6-methoxy-2-methylhexan-1-amine

N-tert-butyl-2-ethenyl-6-methoxy-2-methylhexan-1-amine (PubChem CID 102641435) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is N-tert-butyl-2-ethenyl-6-methoxy-2-methylhexan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-ethenyl-6-methoxy-2-methylhexan-1-amine
PubChem CID102641435
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC NameN-tert-butyl-2-ethenyl-6-methoxy-2-methylhexan-1-amine
SMILESC=CC(C)(CCCCOC)CNC(C)(C)C
InChIInChI=1S/C14H29NO/c1-7-14(5,10-8-9-11-16-6)12-15-13(2,3)4/h7,15H,1,8-12H2,2-6H3
InChIKeyNKZIBNICPWVRLP-UHFFFAOYSA-N
XLogP3.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-2-(methoxymethyl)-5-methylidene-N-propan-2-ylhept-6-en-1-amine
CID 134386348
N-ethyl-3,3-dimethyl-1-(3-methyl-2H-furan-3-yl)butan-1-amine
CID 167027452
N-tert-butyl-6-pent-4-enoxyhexan-1-amine
CID 79114258
2-Ethenyl-6-methoxy-2-methylhexan-1-amine
CID 102640436
2-ethenyl-6-methoxy-N,2-dimethylhexan-1-amine
CID 102640614
2-ethenyl-5-ethoxy-N-ethyl-2-methylpentan-1-amine
CID 102640688
2-ethenyl-N-ethyl-5-methoxy-2-methylpentan-1-amine
CID 102640744
N-ethyl-2-methyl-2-(oxan-4-ylmethyl)but-3-en-1-amine
CID 102640746
2-ethenyl-N-ethyl-6-methoxy-2-methylhexan-1-amine
CID 102640778
2-ethenyl-5-ethoxy-2-methyl-N-propylpentan-1-amine
CID 102640856
2-ethenyl-5-methoxy-2-methyl-N-propylpentan-1-amine
CID 102640908
2-methyl-2-(oxan-4-ylmethyl)-N-propylbut-3-en-1-amine
CID 102640911

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-ethenyl-6-methoxy-2-methylhexan-1-amine?
The IUPAC name of N-tert-butyl-2-ethenyl-6-methoxy-2-methylhexan-1-amine (CID 102641435) is N-tert-butyl-2-ethenyl-6-methoxy-2-methylhexan-1-amine.
What is the SMILES notation for N-tert-butyl-2-ethenyl-6-methoxy-2-methylhexan-1-amine?
The canonical SMILES for N-tert-butyl-2-ethenyl-6-methoxy-2-methylhexan-1-amine is C=CC(C)(CCCCOC)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-ethenyl-6-methoxy-2-methylhexan-1-amine?
The InChIKey is NKZIBNICPWVRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-7-14(5,10-8-9-11-16-6)12-15-13(2,3)4/h7,15H,1,8-12H2,2-6H3.
What are the key properties of N-tert-butyl-2-ethenyl-6-methoxy-2-methylhexan-1-amine?
N-tert-butyl-2-ethenyl-6-methoxy-2-methylhexan-1-amine has a molecular weight of 227.39 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-ethenyl-6-methoxy-2-methylhexan-1-amine is sourced from PubChem (CID 102641435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).