N-hept-6-enyl-2,2-dimethyloxan-4-amine

C14H27NO — CID 107007059

IUPACN-hept-6-enyl-2,2-dimethyloxan-4-amine
SMILESC=CCCCCCNC1CCOC(C)(C)C1
InChIInChI=1S/C14H27NO/c1-4-5-6-7-8-10-15-13-9-11-16-14(2,3)12-13/h4,13,15H,1,5-12H2,2-3H3
InChIKeyVUEONMKKRXBMOF-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.28
Rot. Bonds7

About N-hept-6-enyl-2,2-dimethyloxan-4-amine

N-hept-6-enyl-2,2-dimethyloxan-4-amine (PubChem CID 107007059) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is N-hept-6-enyl-2,2-dimethyloxan-4-amine.

Molecular Properties

Compound NameN-hept-6-enyl-2,2-dimethyloxan-4-amine
PubChem CID107007059
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC NameN-hept-6-enyl-2,2-dimethyloxan-4-amine
SMILESC=CCCCCCNC1CCOC(C)(C)C1
InChIInChI=1S/C14H27NO/c1-4-5-6-7-8-10-15-13-9-11-16-14(2,3)12-13/h4,13,15H,1,5-12H2,2-3H3
InChIKeyVUEONMKKRXBMOF-UHFFFAOYSA-N
XLogP3.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.28
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

N-(2-but-3-enoxyethyl)-2,2-dimethyloxan-4-amine
CID 106397284
N-hept-6-enyloxan-4-amine
CID 107006595
2,2-dimethyl-N-(3-methylbut-3-enyl)oxan-4-amine
CID 114472487
N-(3-ethylsulfonylpropyl)-2,2-dimethyloxan-4-amine
CID 83033238
N-hept-6-enylcyclobutanamine
CID 107006782
5-[(2,2-dimethyloxan-4-yl)amino]-2-methylpentan-1-ol
CID 106158085
2,2-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]oxan-4-amine
CID 83033160
4-(cyclopropylamino)-N-(2,2-dimethyloxan-4-yl)butane-1-sulfonamide
CID 106075175
2,2-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]oxan-4-amine
CID 112589376
tert-butyl N-[3-[(2,2-dimethyloxan-4-yl)amino]propyl]carbamate
CID 83032600
2-[(2,2-dimethyloxan-4-yl)amino]-N-methylethanesulfonamide
CID 106333827
N-butyl-2-[(2,2-dimethyloxan-4-yl)amino]acetamide
CID 83033491

Frequently Asked Questions

What is the IUPAC name of N-hept-6-enyl-2,2-dimethyloxan-4-amine?
The IUPAC name of N-hept-6-enyl-2,2-dimethyloxan-4-amine (CID 107007059) is N-hept-6-enyl-2,2-dimethyloxan-4-amine.
What is the SMILES notation for N-hept-6-enyl-2,2-dimethyloxan-4-amine?
The canonical SMILES for N-hept-6-enyl-2,2-dimethyloxan-4-amine is C=CCCCCCNC1CCOC(C)(C)C1.
What is the InChIKey of N-hept-6-enyl-2,2-dimethyloxan-4-amine?
The InChIKey is VUEONMKKRXBMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-4-5-6-7-8-10-15-13-9-11-16-14(2,3)12-13/h4,13,15H,1,5-12H2,2-3H3.
What are the key properties of N-hept-6-enyl-2,2-dimethyloxan-4-amine?
N-hept-6-enyl-2,2-dimethyloxan-4-amine has a molecular weight of 225.38 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hept-6-enyl-2,2-dimethyloxan-4-amine is sourced from PubChem (CID 107007059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).