(2E,5Z)-N,2-dimethyl-4-methylidenehepta-2,5-dien-1-amine;N-[[6-(ethylaminomethyl)naphthalen-2-yl]methyl]ethanamine;N-methylmethanamine

C28H46N4 — CID 176555212

IUPAC(2E,5Z)-N,2-dimethyl-4-methylidenehepta-2,5-dien-1-amine;N-[[6-(ethylaminomethyl)naphthalen-2-yl]methyl]ethanamine;N-methylmethanamine
SMILESC=C(/C=C\C)/C=C(\C)CNC.CCNCc1ccc2cc(CNCC)ccc2c1.CNC
InChIInChI=1S/C16H22N2.C10H17N.C2H7N/c1-3-17-11-13-5-7-16-10-14(12-18-4-2)6-8-15(16)9-13;1-5-6-9(2)7-10(3)8-11-4;1-3-2/h5-10,17-18H,3-4,11-12H2,1-2H3;5-7,11H,2,8H2,1,3-4H3;3H,1-2H3/b;6-5-,10-7+;
InChIKeyBWNUWCIAGFJQPP-SLRSMGRJSA-N
MW438.70 g/mol
LogP5.18
Rot. Bonds10

About (2E,5Z)-N,2-dimethyl-4-methylidenehepta-2,5-dien-1-amine;N-[[6-(ethylaminomethyl)naphthalen-2-yl]methyl]ethanamine;N-methylmethanamine

(2E,5Z)-N,2-dimethyl-4-methylidenehepta-2,5-dien-1-amine;N-[[6-(ethylaminomethyl)naphthalen-2-yl]methyl]ethanamine;N-methylmethanamine (PubChem CID 176555212) has the molecular formula C28H46N4 and a molecular weight of 438.70 g/mol. Its IUPAC name is (2E,5Z)-N,2-dimethyl-4-methylidenehepta-2,5-dien-1-amine;N-[[6-(ethylaminomethyl)naphthalen-2-yl]methyl]ethanamine;N-methylmethanamine.

Molecular Properties

Compound Name(2E,5Z)-N,2-dimethyl-4-methylidenehepta-2,5-dien-1-amine;N-[[6-(ethylaminomethyl)naphthalen-2-yl]methyl]ethanamine;N-methylmethanamine
PubChem CID176555212
Molecular FormulaC28H46N4
Molecular Weight438.70 g/mol
Exact Mass438.37
IUPAC Name(2E,5Z)-N,2-dimethyl-4-methylidenehepta-2,5-dien-1-amine;N-[[6-(ethylaminomethyl)naphthalen-2-yl]methyl]ethanamine;N-methylmethanamine
SMILESC=C(/C=C\C)/C=C(\C)CNC.CCNCc1ccc2cc(CNCC)ccc2c1.CNC
InChIInChI=1S/C16H22N2.C10H17N.C2H7N/c1-3-17-11-13-5-7-16-10-14(12-18-4-2)6-8-15(16)9-13;1-5-6-9(2)7-10(3)8-11-4;1-3-2/h5-10,17-18H,3-4,11-12H2,1-2H3;5-7,11H,2,8H2,1,3-4H3;3H,1-2H3/b;6-5-,10-7+;
InChIKeyBWNUWCIAGFJQPP-SLRSMGRJSA-N
XLogP5.18
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.70
LogP ≤ 55.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,5Z)-N,2-dimethyl-4-methylidenehepta-2,5-dien-1-amine;N-[[6-(ethylaminomethyl)naphthalen-2-yl]methyl]ethanamine;N-methylmethanamine?
The IUPAC name of (2E,5Z)-N,2-dimethyl-4-methylidenehepta-2,5-dien-1-amine;N-[[6-(ethylaminomethyl)naphthalen-2-yl]methyl]ethanamine;N-methylmethanamine (CID 176555212) is (2E,5Z)-N,2-dimethyl-4-methylidenehepta-2,5-dien-1-amine;N-[[6-(ethylaminomethyl)naphthalen-2-yl]methyl]ethanamine;N-methylmethanamine.
What is the SMILES notation for (2E,5Z)-N,2-dimethyl-4-methylidenehepta-2,5-dien-1-amine;N-[[6-(ethylaminomethyl)naphthalen-2-yl]methyl]ethanamine;N-methylmethanamine?
The canonical SMILES for (2E,5Z)-N,2-dimethyl-4-methylidenehepta-2,5-dien-1-amine;N-[[6-(ethylaminomethyl)naphthalen-2-yl]methyl]ethanamine;N-methylmethanamine is C=C(/C=C\C)/C=C(\C)CNC.CCNCc1ccc2cc(CNCC)ccc2c1.CNC.
What is the InChIKey of (2E,5Z)-N,2-dimethyl-4-methylidenehepta-2,5-dien-1-amine;N-[[6-(ethylaminomethyl)naphthalen-2-yl]methyl]ethanamine;N-methylmethanamine?
The InChIKey is BWNUWCIAGFJQPP-SLRSMGRJSA-N. The full InChI is InChI=1S/C16H22N2.C10H17N.C2H7N/c1-3-17-11-13-5-7-16-10-14(12-18-4-2)6-8-15(16)9-13;1-5-6-9(2)7-10(3)8-11-4;1-3-2/h5-10,17-18H,3-4,11-12H2,1-2H3;5-7,11H,2,8H2,1,3-4H3;3H,1-2H3/b;6-5-,10-7+;.
What are the key properties of (2E,5Z)-N,2-dimethyl-4-methylidenehepta-2,5-dien-1-amine;N-[[6-(ethylaminomethyl)naphthalen-2-yl]methyl]ethanamine;N-methylmethanamine?
(2E,5Z)-N,2-dimethyl-4-methylidenehepta-2,5-dien-1-amine;N-[[6-(ethylaminomethyl)naphthalen-2-yl]methyl]ethanamine;N-methylmethanamine has a molecular weight of 438.70 g/mol, XLogP of 5.18, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5Z)-N,2-dimethyl-4-methylidenehepta-2,5-dien-1-amine;N-[[6-(ethylaminomethyl)naphthalen-2-yl]methyl]ethanamine;N-methylmethanamine is sourced from PubChem (CID 176555212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).