ethane;2-methylbut-2-ene;N-methyl-N-(morpholin-3-ylmethyl)propan-1-amine

C18H42N2O — CID 142067927

IUPACethane;2-methylbut-2-ene;N-methyl-N-(morpholin-3-ylmethyl)propan-1-amine
SMILESCC.CC.CC=C(C)C.CCCN(C)CC1COCCN1
InChIInChI=1S/C9H20N2O.C5H10.2C2H6/c1-3-5-11(2)7-9-8-12-6-4-10-9;1-4-5(2)3;2*1-2/h9-10H,3-8H2,1-2H3;4H,1-3H3;2*1-2H3
InChIKeyLNAKCRZZUFNTEW-UHFFFAOYSA-N
MW302.55 g/mol
LogP4.34
Rot. Bonds4

About ethane;2-methylbut-2-ene;N-methyl-N-(morpholin-3-ylmethyl)propan-1-amine

ethane;2-methylbut-2-ene;N-methyl-N-(morpholin-3-ylmethyl)propan-1-amine (PubChem CID 142067927) has the molecular formula C18H42N2O and a molecular weight of 302.55 g/mol. Its IUPAC name is ethane;2-methylbut-2-ene;N-methyl-N-(morpholin-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound Nameethane;2-methylbut-2-ene;N-methyl-N-(morpholin-3-ylmethyl)propan-1-amine
PubChem CID142067927
Molecular FormulaC18H42N2O
Molecular Weight302.55 g/mol
Exact Mass302.33
IUPAC Nameethane;2-methylbut-2-ene;N-methyl-N-(morpholin-3-ylmethyl)propan-1-amine
SMILESCC.CC.CC=C(C)C.CCCN(C)CC1COCCN1
InChIInChI=1S/C9H20N2O.C5H10.2C2H6/c1-3-5-11(2)7-9-8-12-6-4-10-9;1-4-5(2)3;2*1-2/h9-10H,3-8H2,1-2H3;4H,1-3H3;2*1-2H3
InChIKeyLNAKCRZZUFNTEW-UHFFFAOYSA-N
XLogP4.34
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.55
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methylbut-2-ene;N-methyl-N-(morpholin-3-ylmethyl)propan-1-amine?
The IUPAC name of ethane;2-methylbut-2-ene;N-methyl-N-(morpholin-3-ylmethyl)propan-1-amine (CID 142067927) is ethane;2-methylbut-2-ene;N-methyl-N-(morpholin-3-ylmethyl)propan-1-amine.
What is the SMILES notation for ethane;2-methylbut-2-ene;N-methyl-N-(morpholin-3-ylmethyl)propan-1-amine?
The canonical SMILES for ethane;2-methylbut-2-ene;N-methyl-N-(morpholin-3-ylmethyl)propan-1-amine is CC.CC.CC=C(C)C.CCCN(C)CC1COCCN1.
What is the InChIKey of ethane;2-methylbut-2-ene;N-methyl-N-(morpholin-3-ylmethyl)propan-1-amine?
The InChIKey is LNAKCRZZUFNTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O.C5H10.2C2H6/c1-3-5-11(2)7-9-8-12-6-4-10-9;1-4-5(2)3;2*1-2/h9-10H,3-8H2,1-2H3;4H,1-3H3;2*1-2H3.
What are the key properties of ethane;2-methylbut-2-ene;N-methyl-N-(morpholin-3-ylmethyl)propan-1-amine?
ethane;2-methylbut-2-ene;N-methyl-N-(morpholin-3-ylmethyl)propan-1-amine has a molecular weight of 302.55 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylbut-2-ene;N-methyl-N-(morpholin-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 142067927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).