1-[(4Z)-4-hexan-2-ylidene-3-propan-2-ylideneoxan-2-yl]-N-methylmethanamine

C16H29NO — CID 129015945

IUPAC1-[(4Z)-4-hexan-2-ylidene-3-propan-2-ylideneoxan-2-yl]-N-methylmethanamine
SMILESCCCC/C(C)=C1/CCOC(CNC)C1=C(C)C
InChIInChI=1S/C16H29NO/c1-6-7-8-13(4)14-9-10-18-15(11-17-5)16(14)12(2)3/h15,17H,6-11H2,1-5H3/b14-13-
InChIKeyJMKYGUDZUXRMNS-YPKPFQOOSA-N
MW251.41 g/mol
LogP3.84
Rot. Bonds5

About 1-[(4Z)-4-hexan-2-ylidene-3-propan-2-ylideneoxan-2-yl]-N-methylmethanamine

1-[(4Z)-4-hexan-2-ylidene-3-propan-2-ylideneoxan-2-yl]-N-methylmethanamine (PubChem CID 129015945) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 1-[(4Z)-4-hexan-2-ylidene-3-propan-2-ylideneoxan-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[(4Z)-4-hexan-2-ylidene-3-propan-2-ylideneoxan-2-yl]-N-methylmethanamine
PubChem CID129015945
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name1-[(4Z)-4-hexan-2-ylidene-3-propan-2-ylideneoxan-2-yl]-N-methylmethanamine
SMILESCCCC/C(C)=C1/CCOC(CNC)C1=C(C)C
InChIInChI=1S/C16H29NO/c1-6-7-8-13(4)14-9-10-18-15(11-17-5)16(14)12(2)3/h15,17H,6-11H2,1-5H3/b14-13-
InChIKeyJMKYGUDZUXRMNS-YPKPFQOOSA-N
XLogP3.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4Z)-4-hexan-2-ylidene-3-propan-2-ylideneoxan-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[(4Z)-4-hexan-2-ylidene-3-propan-2-ylideneoxan-2-yl]-N-methylmethanamine (CID 129015945) is 1-[(4Z)-4-hexan-2-ylidene-3-propan-2-ylideneoxan-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[(4Z)-4-hexan-2-ylidene-3-propan-2-ylideneoxan-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[(4Z)-4-hexan-2-ylidene-3-propan-2-ylideneoxan-2-yl]-N-methylmethanamine is CCCC/C(C)=C1/CCOC(CNC)C1=C(C)C.
What is the InChIKey of 1-[(4Z)-4-hexan-2-ylidene-3-propan-2-ylideneoxan-2-yl]-N-methylmethanamine?
The InChIKey is JMKYGUDZUXRMNS-YPKPFQOOSA-N. The full InChI is InChI=1S/C16H29NO/c1-6-7-8-13(4)14-9-10-18-15(11-17-5)16(14)12(2)3/h15,17H,6-11H2,1-5H3/b14-13-.
What are the key properties of 1-[(4Z)-4-hexan-2-ylidene-3-propan-2-ylideneoxan-2-yl]-N-methylmethanamine?
1-[(4Z)-4-hexan-2-ylidene-3-propan-2-ylideneoxan-2-yl]-N-methylmethanamine has a molecular weight of 251.41 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4Z)-4-hexan-2-ylidene-3-propan-2-ylideneoxan-2-yl]-N-methylmethanamine is sourced from PubChem (CID 129015945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).