ethane;N-methylmethanamine;(1E,3Z)-1-piperidin-1-ylpenta-1,3-diene-1,4-diamine

C14H32N4 — CID 145197806

IUPACethane;N-methylmethanamine;(1E,3Z)-1-piperidin-1-ylpenta-1,3-diene-1,4-diamine
SMILESC/C(N)=C/C=C(\N)N1CCCCC1.CC.CNC
InChIInChI=1S/C10H19N3.C2H7N.C2H6/c1-9(11)5-6-10(12)13-7-3-2-4-8-13;1-3-2;1-2/h5-6H,2-4,7-8,11-12H2,1H3;3H,1-2H3;1-2H3/b9-5-,10-6+;;
InChIKeyDNJMLOKNCZZDQH-ONLMGNRDSA-N
MW256.44 g/mol
LogP2.00
Rot. Bonds2

About ethane;N-methylmethanamine;(1E,3Z)-1-piperidin-1-ylpenta-1,3-diene-1,4-diamine

ethane;N-methylmethanamine;(1E,3Z)-1-piperidin-1-ylpenta-1,3-diene-1,4-diamine (PubChem CID 145197806) has the molecular formula C14H32N4 and a molecular weight of 256.44 g/mol. Its IUPAC name is ethane;N-methylmethanamine;(1E,3Z)-1-piperidin-1-ylpenta-1,3-diene-1,4-diamine.

Molecular Properties

Compound Nameethane;N-methylmethanamine;(1E,3Z)-1-piperidin-1-ylpenta-1,3-diene-1,4-diamine
PubChem CID145197806
Molecular FormulaC14H32N4
Molecular Weight256.44 g/mol
Exact Mass256.26
IUPAC Nameethane;N-methylmethanamine;(1E,3Z)-1-piperidin-1-ylpenta-1,3-diene-1,4-diamine
SMILESC/C(N)=C/C=C(\N)N1CCCCC1.CC.CNC
InChIInChI=1S/C10H19N3.C2H7N.C2H6/c1-9(11)5-6-10(12)13-7-3-2-4-8-13;1-3-2;1-2/h5-6H,2-4,7-8,11-12H2,1H3;3H,1-2H3;1-2H3/b9-5-,10-6+;;
InChIKeyDNJMLOKNCZZDQH-ONLMGNRDSA-N
XLogP2.00
TPSA67.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.44
LogP ≤ 52.00
H-Bond Donors ≤ 53
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 ethane;N-methylmethanamine;(1E,3Z)-1-piperidin-1-ylpenta-1,3-diene-1,4-diamine?
The IUPAC name of ethane;N-methylmethanamine;(1E,3Z)-1-piperidin-1-ylpenta-1,3-diene-1,4-diamine (CID 145197806) is ethane;N-methylmethanamine;(1E,3Z)-1-piperidin-1-ylpenta-1,3-diene-1,4-diamine.
What is the SMILES notation for ethane;N-methylmethanamine;(1E,3Z)-1-piperidin-1-ylpenta-1,3-diene-1,4-diamine?
The canonical SMILES for ethane;N-methylmethanamine;(1E,3Z)-1-piperidin-1-ylpenta-1,3-diene-1,4-diamine is C/C(N)=C/C=C(\N)N1CCCCC1.CC.CNC.
What is the InChIKey of ethane;N-methylmethanamine;(1E,3Z)-1-piperidin-1-ylpenta-1,3-diene-1,4-diamine?
The InChIKey is DNJMLOKNCZZDQH-ONLMGNRDSA-N. The full InChI is InChI=1S/C10H19N3.C2H7N.C2H6/c1-9(11)5-6-10(12)13-7-3-2-4-8-13;1-3-2;1-2/h5-6H,2-4,7-8,11-12H2,1H3;3H,1-2H3;1-2H3/b9-5-,10-6+;;.
What are the key properties of ethane;N-methylmethanamine;(1E,3Z)-1-piperidin-1-ylpenta-1,3-diene-1,4-diamine?
ethane;N-methylmethanamine;(1E,3Z)-1-piperidin-1-ylpenta-1,3-diene-1,4-diamine has a molecular weight of 256.44 g/mol, XLogP of 2.00, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methylmethanamine;(1E,3Z)-1-piperidin-1-ylpenta-1,3-diene-1,4-diamine is sourced from PubChem (CID 145197806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).