N,3-dimethylbut-1-en-2-amine;4-(4-methylpent-2-ynyl)morpholine

C16H30N2O — CID 156795148

IUPACN,3-dimethylbut-1-en-2-amine;4-(4-methylpent-2-ynyl)morpholine
SMILESC=C(NC)C(C)C.CC(C)C#CCN1CCOCC1
InChIInChI=1S/C10H17NO.C6H13N/c1-10(2)4-3-5-11-6-8-12-9-7-11;1-5(2)6(3)7-4/h10H,5-9H2,1-2H3;5,7H,3H2,1-2,4H3
InChIKeyKOYYQFZHIQHISU-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.35
Rot. Bonds3

About N,3-dimethylbut-1-en-2-amine;4-(4-methylpent-2-ynyl)morpholine

N,3-dimethylbut-1-en-2-amine;4-(4-methylpent-2-ynyl)morpholine (PubChem CID 156795148) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is N,3-dimethylbut-1-en-2-amine;4-(4-methylpent-2-ynyl)morpholine.

Molecular Properties

Compound NameN,3-dimethylbut-1-en-2-amine;4-(4-methylpent-2-ynyl)morpholine
PubChem CID156795148
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC NameN,3-dimethylbut-1-en-2-amine;4-(4-methylpent-2-ynyl)morpholine
SMILESC=C(NC)C(C)C.CC(C)C#CCN1CCOCC1
InChIInChI=1S/C10H17NO.C6H13N/c1-10(2)4-3-5-11-6-8-12-9-7-11;1-5(2)6(3)7-4/h10H,5-9H2,1-2H3;5,7H,3H2,1-2,4H3
InChIKeyKOYYQFZHIQHISU-UHFFFAOYSA-N
XLogP2.35
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethylbut-1-en-2-amine;4-(4-methylpent-2-ynyl)morpholine?
The IUPAC name of N,3-dimethylbut-1-en-2-amine;4-(4-methylpent-2-ynyl)morpholine (CID 156795148) is N,3-dimethylbut-1-en-2-amine;4-(4-methylpent-2-ynyl)morpholine.
What is the SMILES notation for N,3-dimethylbut-1-en-2-amine;4-(4-methylpent-2-ynyl)morpholine?
The canonical SMILES for N,3-dimethylbut-1-en-2-amine;4-(4-methylpent-2-ynyl)morpholine is C=C(NC)C(C)C.CC(C)C#CCN1CCOCC1.
What is the InChIKey of N,3-dimethylbut-1-en-2-amine;4-(4-methylpent-2-ynyl)morpholine?
The InChIKey is KOYYQFZHIQHISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO.C6H13N/c1-10(2)4-3-5-11-6-8-12-9-7-11;1-5(2)6(3)7-4/h10H,5-9H2,1-2H3;5,7H,3H2,1-2,4H3.
What are the key properties of N,3-dimethylbut-1-en-2-amine;4-(4-methylpent-2-ynyl)morpholine?
N,3-dimethylbut-1-en-2-amine;4-(4-methylpent-2-ynyl)morpholine has a molecular weight of 266.43 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethylbut-1-en-2-amine;4-(4-methylpent-2-ynyl)morpholine is sourced from PubChem (CID 156795148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).