3-N-[3-(2-methylhydrazinyl)prop-1-en-2-yl]-1-N-(naphthalen-1-ylmethyl)butane-1,3-diamine

C19H28N4 — CID 139397678

IUPAC3-N-[3-(2-methylhydrazinyl)prop-1-en-2-yl]-1-N-(naphthalen-1-ylmethyl)butane-1,3-diamine
SMILESC=C(CNNC)NC(C)CCNCc1cccc2ccccc12
InChIInChI=1S/C19H28N4/c1-15(23-16(2)13-22-20-3)11-12-21-14-18-9-6-8-17-7-4-5-10-19(17)18/h4-10,15,20-23H,2,11-14H2,1,3H3
InChIKeyCGGULEFANJFLMZ-UHFFFAOYSA-N
MW312.46 g/mol
LogP2.54
Rot. Bonds10

About 3-N-[3-(2-methylhydrazinyl)prop-1-en-2-yl]-1-N-(naphthalen-1-ylmethyl)butane-1,3-diamine

3-N-[3-(2-methylhydrazinyl)prop-1-en-2-yl]-1-N-(naphthalen-1-ylmethyl)butane-1,3-diamine (PubChem CID 139397678) has the molecular formula C19H28N4 and a molecular weight of 312.46 g/mol. Its IUPAC name is 3-N-[3-(2-methylhydrazinyl)prop-1-en-2-yl]-1-N-(naphthalen-1-ylmethyl)butane-1,3-diamine.

Molecular Properties

Compound Name3-N-[3-(2-methylhydrazinyl)prop-1-en-2-yl]-1-N-(naphthalen-1-ylmethyl)butane-1,3-diamine
PubChem CID139397678
Molecular FormulaC19H28N4
Molecular Weight312.46 g/mol
Exact Mass312.23
IUPAC Name3-N-[3-(2-methylhydrazinyl)prop-1-en-2-yl]-1-N-(naphthalen-1-ylmethyl)butane-1,3-diamine
SMILESC=C(CNNC)NC(C)CCNCc1cccc2ccccc12
InChIInChI=1S/C19H28N4/c1-15(23-16(2)13-22-20-3)11-12-21-14-18-9-6-8-17-7-4-5-10-19(17)18/h4-10,15,20-23H,2,11-14H2,1,3H3
InChIKeyCGGULEFANJFLMZ-UHFFFAOYSA-N
XLogP2.54
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 52.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(naphthalen-1-ylmethylamino)pentan-2-ol
CID 107267647
7-methyl-N-(naphthalen-1-ylmethyl)octan-1-amine
CID 28528182
3-methyl-N-(naphthalen-1-ylmethyl)but-3-en-1-amine
CID 114472242
2-methylidene-N-(naphthalen-1-ylmethyl)butan-1-amine
CID 66045234
1-N-methyl-1-N'-(naphthalen-1-ylmethyl)ethene-1,1-diamine
CID 142138945
N,N'-bis[2-(naphthalen-1-ylmethylamino)ethyl]ethane-1,2-diamine
CID 11766966
3-chloro-4-methoxy-N-(naphthalen-1-ylmethyl)butan-1-amine
CID 106242289
1-N-(naphthalen-1-ylmethyl)-1-N'-propan-2-ylethene-1,1-diamine
CID 122547209
N-methyl-N'-(naphthalen-1-ylmethyl)propane-1,3-diamine
CID 4720020
1-(naphthalen-1-ylmethylamino)propan-2-ol;oxalic acid
CID 171155033
N-(naphthalen-1-ylmethyl)ethanamine;hydrochloride
CID 17290740
N'-(naphthalen-1-ylmethyl)-N-[[4-[[2-(naphthalen-1-ylmethylamino)ethylamino]methyl]phenyl]methyl]ethane-1,2-diamine
CID 102025774

Frequently Asked Questions

What is the IUPAC name of 3-N-[3-(2-methylhydrazinyl)prop-1-en-2-yl]-1-N-(naphthalen-1-ylmethyl)butane-1,3-diamine?
The IUPAC name of 3-N-[3-(2-methylhydrazinyl)prop-1-en-2-yl]-1-N-(naphthalen-1-ylmethyl)butane-1,3-diamine (CID 139397678) is 3-N-[3-(2-methylhydrazinyl)prop-1-en-2-yl]-1-N-(naphthalen-1-ylmethyl)butane-1,3-diamine.
What is the SMILES notation for 3-N-[3-(2-methylhydrazinyl)prop-1-en-2-yl]-1-N-(naphthalen-1-ylmethyl)butane-1,3-diamine?
The canonical SMILES for 3-N-[3-(2-methylhydrazinyl)prop-1-en-2-yl]-1-N-(naphthalen-1-ylmethyl)butane-1,3-diamine is C=C(CNNC)NC(C)CCNCc1cccc2ccccc12.
What is the InChIKey of 3-N-[3-(2-methylhydrazinyl)prop-1-en-2-yl]-1-N-(naphthalen-1-ylmethyl)butane-1,3-diamine?
The InChIKey is CGGULEFANJFLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4/c1-15(23-16(2)13-22-20-3)11-12-21-14-18-9-6-8-17-7-4-5-10-19(17)18/h4-10,15,20-23H,2,11-14H2,1,3H3.
What are the key properties of 3-N-[3-(2-methylhydrazinyl)prop-1-en-2-yl]-1-N-(naphthalen-1-ylmethyl)butane-1,3-diamine?
3-N-[3-(2-methylhydrazinyl)prop-1-en-2-yl]-1-N-(naphthalen-1-ylmethyl)butane-1,3-diamine has a molecular weight of 312.46 g/mol, XLogP of 2.54, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[3-(2-methylhydrazinyl)prop-1-en-2-yl]-1-N-(naphthalen-1-ylmethyl)butane-1,3-diamine is sourced from PubChem (CID 139397678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).