3-methyl-N-[[4-(4-methylpentyl)morpholin-2-yl]methyl]but-1-en-2-amine

C16H32N2O — CID 155455439

IUPAC3-methyl-N-[[4-(4-methylpentyl)morpholin-2-yl]methyl]but-1-en-2-amine
SMILESC=C(NCC1CN(CCCC(C)C)CCO1)C(C)C
InChIInChI=1S/C16H32N2O/c1-13(2)7-6-8-18-9-10-19-16(12-18)11-17-15(5)14(3)4/h13-14,16-17H,5-12H2,1-4H3
InChIKeySSYAJQADMAVQLO-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.88
Rot. Bonds8

About 3-methyl-N-[[4-(4-methylpentyl)morpholin-2-yl]methyl]but-1-en-2-amine

3-methyl-N-[[4-(4-methylpentyl)morpholin-2-yl]methyl]but-1-en-2-amine (PubChem CID 155455439) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 3-methyl-N-[[4-(4-methylpentyl)morpholin-2-yl]methyl]but-1-en-2-amine.

Molecular Properties

Compound Name3-methyl-N-[[4-(4-methylpentyl)morpholin-2-yl]methyl]but-1-en-2-amine
PubChem CID155455439
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name3-methyl-N-[[4-(4-methylpentyl)morpholin-2-yl]methyl]but-1-en-2-amine
SMILESC=C(NCC1CN(CCCC(C)C)CCO1)C(C)C
InChIInChI=1S/C16H32N2O/c1-13(2)7-6-8-18-9-10-19-16(12-18)11-17-15(5)14(3)4/h13-14,16-17H,5-12H2,1-4H3
InChIKeySSYAJQADMAVQLO-UHFFFAOYSA-N
XLogP2.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[4-(4-methylpentyl)morpholin-2-yl]methyl]but-1-en-2-amine?
The IUPAC name of 3-methyl-N-[[4-(4-methylpentyl)morpholin-2-yl]methyl]but-1-en-2-amine (CID 155455439) is 3-methyl-N-[[4-(4-methylpentyl)morpholin-2-yl]methyl]but-1-en-2-amine.
What is the SMILES notation for 3-methyl-N-[[4-(4-methylpentyl)morpholin-2-yl]methyl]but-1-en-2-amine?
The canonical SMILES for 3-methyl-N-[[4-(4-methylpentyl)morpholin-2-yl]methyl]but-1-en-2-amine is C=C(NCC1CN(CCCC(C)C)CCO1)C(C)C.
What is the InChIKey of 3-methyl-N-[[4-(4-methylpentyl)morpholin-2-yl]methyl]but-1-en-2-amine?
The InChIKey is SSYAJQADMAVQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-13(2)7-6-8-18-9-10-19-16(12-18)11-17-15(5)14(3)4/h13-14,16-17H,5-12H2,1-4H3.
What are the key properties of 3-methyl-N-[[4-(4-methylpentyl)morpholin-2-yl]methyl]but-1-en-2-amine?
3-methyl-N-[[4-(4-methylpentyl)morpholin-2-yl]methyl]but-1-en-2-amine has a molecular weight of 268.44 g/mol, XLogP of 2.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[4-(4-methylpentyl)morpholin-2-yl]methyl]but-1-en-2-amine is sourced from PubChem (CID 155455439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).