1-chloro-N'-[4-(2-cyclohexylhydrazinyl)butyl]-N-prop-2-enylethane-1,2-diamine

C15H31ClN4 — CID 57213268

IUPAC1-chloro-N'-[4-(2-cyclohexylhydrazinyl)butyl]-N-prop-2-enylethane-1,2-diamine
SMILESC=CCNC(Cl)CNCCCCNNC1CCCCC1
InChIInChI=1S/C15H31ClN4/c1-2-10-18-15(16)13-17-11-6-7-12-19-20-14-8-4-3-5-9-14/h2,14-15,17-20H,1,3-13H2
InChIKeyQQHPPUDHWFHLOW-UHFFFAOYSA-N
MW302.89 g/mol
LogP2.12
Rot. Bonds12

About 1-chloro-N'-[4-(2-cyclohexylhydrazinyl)butyl]-N-prop-2-enylethane-1,2-diamine

1-chloro-N'-[4-(2-cyclohexylhydrazinyl)butyl]-N-prop-2-enylethane-1,2-diamine (PubChem CID 57213268) has the molecular formula C15H31ClN4 and a molecular weight of 302.89 g/mol. Its IUPAC name is 1-chloro-N'-[4-(2-cyclohexylhydrazinyl)butyl]-N-prop-2-enylethane-1,2-diamine.

Molecular Properties

Compound Name1-chloro-N'-[4-(2-cyclohexylhydrazinyl)butyl]-N-prop-2-enylethane-1,2-diamine
PubChem CID57213268
Molecular FormulaC15H31ClN4
Molecular Weight302.89 g/mol
Exact Mass302.22
IUPAC Name1-chloro-N'-[4-(2-cyclohexylhydrazinyl)butyl]-N-prop-2-enylethane-1,2-diamine
SMILESC=CCNC(Cl)CNCCCCNNC1CCCCC1
InChIInChI=1S/C15H31ClN4/c1-2-10-18-15(16)13-17-11-6-7-12-19-20-14-8-4-3-5-9-14/h2,14-15,17-20H,1,3-13H2
InChIKeyQQHPPUDHWFHLOW-UHFFFAOYSA-N
XLogP2.12
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.89
LogP ≤ 52.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N',N"-dicyclohexyl-N-prop-2-enylmethanetriamine
CID 146581503
N,N'-bis(prop-2-enyl)decane-1,10-diamine
CID 118539136
azane;N-prop-2-enylcyclohexanamine
CID 22328045
2-cyclopentyl-2-(prop-2-enylamino)acetic acid
CID 62352508
N-[cyclohexyl(phenyl)methyl]prop-2-en-1-amine
CID 43110950
N-cyclooctyl-2-(prop-2-enylamino)acetamide
CID 78908315
N-[[3-[(prop-2-enylamino)methyl]cyclohexyl]methyl]prop-2-en-1-amine
CID 118013747
methanamine;N-prop-2-enylcyclohexanamine
CID 22649764
N-(2-cyclobutyloxyethyl)prop-2-en-1-amine
CID 62583817
5-chloro-4-methyl-N-prop-2-enylpentan-1-amine
CID 106153268
5-(prop-2-enylamino)pentan-2-ol
CID 55286599
N-cyclopentyl-2-(prop-2-enylamino)acetamide
CID 28563506

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N'-[4-(2-cyclohexylhydrazinyl)butyl]-N-prop-2-enylethane-1,2-diamine?
The IUPAC name of 1-chloro-N'-[4-(2-cyclohexylhydrazinyl)butyl]-N-prop-2-enylethane-1,2-diamine (CID 57213268) is 1-chloro-N'-[4-(2-cyclohexylhydrazinyl)butyl]-N-prop-2-enylethane-1,2-diamine.
What is the SMILES notation for 1-chloro-N'-[4-(2-cyclohexylhydrazinyl)butyl]-N-prop-2-enylethane-1,2-diamine?
The canonical SMILES for 1-chloro-N'-[4-(2-cyclohexylhydrazinyl)butyl]-N-prop-2-enylethane-1,2-diamine is C=CCNC(Cl)CNCCCCNNC1CCCCC1.
What is the InChIKey of 1-chloro-N'-[4-(2-cyclohexylhydrazinyl)butyl]-N-prop-2-enylethane-1,2-diamine?
The InChIKey is QQHPPUDHWFHLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31ClN4/c1-2-10-18-15(16)13-17-11-6-7-12-19-20-14-8-4-3-5-9-14/h2,14-15,17-20H,1,3-13H2.
What are the key properties of 1-chloro-N'-[4-(2-cyclohexylhydrazinyl)butyl]-N-prop-2-enylethane-1,2-diamine?
1-chloro-N'-[4-(2-cyclohexylhydrazinyl)butyl]-N-prop-2-enylethane-1,2-diamine has a molecular weight of 302.89 g/mol, XLogP of 2.12, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N'-[4-(2-cyclohexylhydrazinyl)butyl]-N-prop-2-enylethane-1,2-diamine is sourced from PubChem (CID 57213268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).