N,2,5-trimethyl-6-prop-2-enyloxan-3-amine

C11H21NO — CID 123611757

IUPACN,2,5-trimethyl-6-prop-2-enyloxan-3-amine
SMILESC=CCC1OC(C)C(NC)CC1C
InChIInChI=1S/C11H21NO/c1-5-6-11-8(2)7-10(12-4)9(3)13-11/h5,8-12H,1,6-7H2,2-4H3
InChIKeyKLGRSTRUIKLHNM-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.96
Rot. Bonds3

About N,2,5-trimethyl-6-prop-2-enyloxan-3-amine

N,2,5-trimethyl-6-prop-2-enyloxan-3-amine (PubChem CID 123611757) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is N,2,5-trimethyl-6-prop-2-enyloxan-3-amine.

Molecular Properties

Compound NameN,2,5-trimethyl-6-prop-2-enyloxan-3-amine
PubChem CID123611757
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC NameN,2,5-trimethyl-6-prop-2-enyloxan-3-amine
SMILESC=CCC1OC(C)C(NC)CC1C
InChIInChI=1S/C11H21NO/c1-5-6-11-8(2)7-10(12-4)9(3)13-11/h5,8-12H,1,6-7H2,2-4H3
InChIKeyKLGRSTRUIKLHNM-UHFFFAOYSA-N
XLogP1.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R,5S,6S)-6-allyl-2,5-dimethyltetrahydro-2H-pyran-3-amine
CID 11521154
tert-Butyl ((2R,3R,5S,6S)-6-allyl-2,5-dimethyltetrahydro-2H-pyran-3-yl)carbamate
CID 16070718
2-Hept-1-en-3-ylmorpholine
CID 68588233
2-Hex-1-en-3-ylmorpholine
CID 68590103
2,5-Dimethyl-6-prop-2-enyloxan-3-amine
CID 72993388
tert-butyl N-(2,5-dimethyl-6-prop-2-enyloxan-3-yl)carbamate
CID 73232509
[(2R,3R,5S,6S)-2,5-dimethyl-6-prop-2-enyloxan-3-yl]carbamic acid
CID 90238314
[(3R,5S,6S)-2,5-dimethyl-6-prop-2-enyloxan-3-yl]carbamic acid
CID 90238317
(4R,5R)-7-ethyl-5-methoxy-N-methylnon-8-en-4-amine
CID 126687218
2-[Cyclohexyl(propan-2-yloxy)methyl]-1,2,3,4-tetrahydropyridine
CID 129055712
tert-butyl N-[(2R,3R,5S)-2,5-dimethyl-6-prop-2-enyloxan-3-yl]carbamate
CID 130455914
(2R,3R,6S)-2,5-dimethyl-6-prop-2-enyloxan-3-amine
CID 130848345

Frequently Asked Questions

What is the IUPAC name of N,2,5-trimethyl-6-prop-2-enyloxan-3-amine?
The IUPAC name of N,2,5-trimethyl-6-prop-2-enyloxan-3-amine (CID 123611757) is N,2,5-trimethyl-6-prop-2-enyloxan-3-amine.
What is the SMILES notation for N,2,5-trimethyl-6-prop-2-enyloxan-3-amine?
The canonical SMILES for N,2,5-trimethyl-6-prop-2-enyloxan-3-amine is C=CCC1OC(C)C(NC)CC1C.
What is the InChIKey of N,2,5-trimethyl-6-prop-2-enyloxan-3-amine?
The InChIKey is KLGRSTRUIKLHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-5-6-11-8(2)7-10(12-4)9(3)13-11/h5,8-12H,1,6-7H2,2-4H3.
What are the key properties of N,2,5-trimethyl-6-prop-2-enyloxan-3-amine?
N,2,5-trimethyl-6-prop-2-enyloxan-3-amine has a molecular weight of 183.29 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,5-trimethyl-6-prop-2-enyloxan-3-amine is sourced from PubChem (CID 123611757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).