5-N-methyl-1-N-[1-[methyl-[(Z)-prop-1-enyl]amino]ethyl]hexane-1,5-diamine

C13H29N3 — CID 129295921

IUPAC5-N-methyl-1-N-[1-[methyl-[(Z)-prop-1-enyl]amino]ethyl]hexane-1,5-diamine
SMILESC/C=C\N(C)C(C)NCCCCC(C)NC
InChIInChI=1S/C13H29N3/c1-6-11-16(5)13(3)15-10-8-7-9-12(2)14-4/h6,11-15H,7-10H2,1-5H3/b11-6-
InChIKeyHHZIPBVWRVNGEG-WDZFZDKYSA-N
MW227.40 g/mol
LogP2.17
Rot. Bonds9

About 5-N-methyl-1-N-[1-[methyl-[(Z)-prop-1-enyl]amino]ethyl]hexane-1,5-diamine

5-N-methyl-1-N-[1-[methyl-[(Z)-prop-1-enyl]amino]ethyl]hexane-1,5-diamine (PubChem CID 129295921) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is 5-N-methyl-1-N-[1-[methyl-[(Z)-prop-1-enyl]amino]ethyl]hexane-1,5-diamine.

Molecular Properties

Compound Name5-N-methyl-1-N-[1-[methyl-[(Z)-prop-1-enyl]amino]ethyl]hexane-1,5-diamine
PubChem CID129295921
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC Name5-N-methyl-1-N-[1-[methyl-[(Z)-prop-1-enyl]amino]ethyl]hexane-1,5-diamine
SMILESC/C=C\N(C)C(C)NCCCCC(C)NC
InChIInChI=1S/C13H29N3/c1-6-11-16(5)13(3)15-10-8-7-9-12(2)14-4/h6,11-15H,7-10H2,1-5H3/b11-6-
InChIKeyHHZIPBVWRVNGEG-WDZFZDKYSA-N
XLogP2.17
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-N-methyl-1-N-[1-[methyl-[(Z)-prop-1-enyl]amino]ethyl]hexane-1,5-diamine?
The IUPAC name of 5-N-methyl-1-N-[1-[methyl-[(Z)-prop-1-enyl]amino]ethyl]hexane-1,5-diamine (CID 129295921) is 5-N-methyl-1-N-[1-[methyl-[(Z)-prop-1-enyl]amino]ethyl]hexane-1,5-diamine.
What is the SMILES notation for 5-N-methyl-1-N-[1-[methyl-[(Z)-prop-1-enyl]amino]ethyl]hexane-1,5-diamine?
The canonical SMILES for 5-N-methyl-1-N-[1-[methyl-[(Z)-prop-1-enyl]amino]ethyl]hexane-1,5-diamine is C/C=C\N(C)C(C)NCCCCC(C)NC.
What is the InChIKey of 5-N-methyl-1-N-[1-[methyl-[(Z)-prop-1-enyl]amino]ethyl]hexane-1,5-diamine?
The InChIKey is HHZIPBVWRVNGEG-WDZFZDKYSA-N. The full InChI is InChI=1S/C13H29N3/c1-6-11-16(5)13(3)15-10-8-7-9-12(2)14-4/h6,11-15H,7-10H2,1-5H3/b11-6-.
What are the key properties of 5-N-methyl-1-N-[1-[methyl-[(Z)-prop-1-enyl]amino]ethyl]hexane-1,5-diamine?
5-N-methyl-1-N-[1-[methyl-[(Z)-prop-1-enyl]amino]ethyl]hexane-1,5-diamine has a molecular weight of 227.40 g/mol, XLogP of 2.17, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-methyl-1-N-[1-[methyl-[(Z)-prop-1-enyl]amino]ethyl]hexane-1,5-diamine is sourced from PubChem (CID 129295921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).