N-methyl-6-methylidene-4-piperidin-1-yl-N-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-amine

C16H24N2 — CID 139419908

IUPACN-methyl-6-methylidene-4-piperidin-1-yl-N-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-amine
SMILESC=C1C=C(N2CCCCC2)C=CC1N(C)/C=C\C
InChIInChI=1S/C16H24N2/c1-4-10-17(3)16-9-8-15(13-14(16)2)18-11-6-5-7-12-18/h4,8-10,13,16H,2,5-7,11-12H2,1,3H3/b10-4-
InChIKeySYMHGPAXGUWUDA-WMZJFQQLSA-N
MW244.38 g/mol
LogP3.32
Rot. Bonds3

About N-methyl-6-methylidene-4-piperidin-1-yl-N-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-amine

N-methyl-6-methylidene-4-piperidin-1-yl-N-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-amine (PubChem CID 139419908) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-methyl-6-methylidene-4-piperidin-1-yl-N-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound NameN-methyl-6-methylidene-4-piperidin-1-yl-N-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-amine
PubChem CID139419908
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC NameN-methyl-6-methylidene-4-piperidin-1-yl-N-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-amine
SMILESC=C1C=C(N2CCCCC2)C=CC1N(C)/C=C\C
InChIInChI=1S/C16H24N2/c1-4-10-17(3)16-9-8-15(13-14(16)2)18-11-6-5-7-12-18/h4,8-10,13,16H,2,5-7,11-12H2,1,3H3/b10-4-
InChIKeySYMHGPAXGUWUDA-WMZJFQQLSA-N
XLogP3.32
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-methylidene-4-piperidin-1-yl-N-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-amine?
The IUPAC name of N-methyl-6-methylidene-4-piperidin-1-yl-N-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-amine (CID 139419908) is N-methyl-6-methylidene-4-piperidin-1-yl-N-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for N-methyl-6-methylidene-4-piperidin-1-yl-N-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-amine?
The canonical SMILES for N-methyl-6-methylidene-4-piperidin-1-yl-N-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-amine is C=C1C=C(N2CCCCC2)C=CC1N(C)/C=C\C.
What is the InChIKey of N-methyl-6-methylidene-4-piperidin-1-yl-N-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-amine?
The InChIKey is SYMHGPAXGUWUDA-WMZJFQQLSA-N. The full InChI is InChI=1S/C16H24N2/c1-4-10-17(3)16-9-8-15(13-14(16)2)18-11-6-5-7-12-18/h4,8-10,13,16H,2,5-7,11-12H2,1,3H3/b10-4-.
What are the key properties of N-methyl-6-methylidene-4-piperidin-1-yl-N-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-amine?
N-methyl-6-methylidene-4-piperidin-1-yl-N-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-amine has a molecular weight of 244.38 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-methylidene-4-piperidin-1-yl-N-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 139419908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).