(Z)-N-methyl-N'-[2-[2-[4-(methylamino)butyl]phenyl]ethyl]ethene-1,2-diamine

C16H27N3 — CID 134474636

IUPAC(Z)-N-methyl-N'-[2-[2-[4-(methylamino)butyl]phenyl]ethyl]ethene-1,2-diamine
SMILESCN/C=C\NCCc1ccccc1CCCCNC
InChIInChI=1S/C16H27N3/c1-17-11-6-5-9-15-7-3-4-8-16(15)10-12-19-14-13-18-2/h3-4,7-8,13-14,17-19H,5-6,9-12H2,1-2H3/b14-13-
InChIKeyYKCNVWDZEMXFDM-YPKPFQOOSA-N
MW261.41 g/mol
LogP2.05
Rot. Bonds10

About (Z)-N-methyl-N'-[2-[2-[4-(methylamino)butyl]phenyl]ethyl]ethene-1,2-diamine

(Z)-N-methyl-N'-[2-[2-[4-(methylamino)butyl]phenyl]ethyl]ethene-1,2-diamine (PubChem CID 134474636) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is (Z)-N-methyl-N'-[2-[2-[4-(methylamino)butyl]phenyl]ethyl]ethene-1,2-diamine.

Molecular Properties

Compound Name(Z)-N-methyl-N'-[2-[2-[4-(methylamino)butyl]phenyl]ethyl]ethene-1,2-diamine
PubChem CID134474636
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name(Z)-N-methyl-N'-[2-[2-[4-(methylamino)butyl]phenyl]ethyl]ethene-1,2-diamine
SMILESCN/C=C\NCCc1ccccc1CCCCNC
InChIInChI=1S/C16H27N3/c1-17-11-6-5-9-15-7-3-4-8-16(15)10-12-19-14-13-18-2/h3-4,7-8,13-14,17-19H,5-6,9-12H2,1-2H3/b14-13-
InChIKeyYKCNVWDZEMXFDM-YPKPFQOOSA-N
XLogP2.05
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-methyl-N'-[2-[2-[4-(methylamino)butyl]phenyl]ethyl]ethene-1,2-diamine?
The IUPAC name of (Z)-N-methyl-N'-[2-[2-[4-(methylamino)butyl]phenyl]ethyl]ethene-1,2-diamine (CID 134474636) is (Z)-N-methyl-N'-[2-[2-[4-(methylamino)butyl]phenyl]ethyl]ethene-1,2-diamine.
What is the SMILES notation for (Z)-N-methyl-N'-[2-[2-[4-(methylamino)butyl]phenyl]ethyl]ethene-1,2-diamine?
The canonical SMILES for (Z)-N-methyl-N'-[2-[2-[4-(methylamino)butyl]phenyl]ethyl]ethene-1,2-diamine is CN/C=C\NCCc1ccccc1CCCCNC.
What is the InChIKey of (Z)-N-methyl-N'-[2-[2-[4-(methylamino)butyl]phenyl]ethyl]ethene-1,2-diamine?
The InChIKey is YKCNVWDZEMXFDM-YPKPFQOOSA-N. The full InChI is InChI=1S/C16H27N3/c1-17-11-6-5-9-15-7-3-4-8-16(15)10-12-19-14-13-18-2/h3-4,7-8,13-14,17-19H,5-6,9-12H2,1-2H3/b14-13-.
What are the key properties of (Z)-N-methyl-N'-[2-[2-[4-(methylamino)butyl]phenyl]ethyl]ethene-1,2-diamine?
(Z)-N-methyl-N'-[2-[2-[4-(methylamino)butyl]phenyl]ethyl]ethene-1,2-diamine has a molecular weight of 261.41 g/mol, XLogP of 2.05, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyl-N'-[2-[2-[4-(methylamino)butyl]phenyl]ethyl]ethene-1,2-diamine is sourced from PubChem (CID 134474636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).