N,N-diethyl-3-hydrazinyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-1-amine

C18H31N3 — CID 105244036

IUPACN,N-diethyl-3-hydrazinyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-1-amine
SMILESCCN(CC)CCC(CC1CCCc2ccccc21)NN
InChIInChI=1S/C18H31N3/c1-3-21(4-2)13-12-17(20-19)14-16-10-7-9-15-8-5-6-11-18(15)16/h5-6,8,11,16-17,20H,3-4,7,9-10,12-14,19H2,1-2H3
InChIKeyVJGYFPNOGGCRNL-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.06
Rot. Bonds8

About N,N-diethyl-3-hydrazinyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-1-amine

N,N-diethyl-3-hydrazinyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-1-amine (PubChem CID 105244036) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N,N-diethyl-3-hydrazinyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-3-hydrazinyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-1-amine
PubChem CID105244036
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN,N-diethyl-3-hydrazinyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-1-amine
SMILESCCN(CC)CCC(CC1CCCc2ccccc21)NN
InChIInChI=1S/C18H31N3/c1-3-21(4-2)13-12-17(20-19)14-16-10-7-9-15-8-5-6-11-18(15)16/h5-6,8,11,16-17,20H,3-4,7,9-10,12-14,19H2,1-2H3
InChIKeyVJGYFPNOGGCRNL-UHFFFAOYSA-N
XLogP3.06
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-phenyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-yl]hydrazine
CID 105195209
[3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pentan-2-yl]hydrazine
CID 105219620
[3-ethoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-yl]hydrazine
CID 105222806
N-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-amine
CID 55241508
N-ethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)heptan-2-amine
CID 115812394
[1,1-difluoro-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-yl]hydrazine
CID 105265068
1-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 54453127
[3-methoxy-3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-yl]hydrazine
CID 105245335
3-N,3-N-diethyl-3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butane-2,3-diamine
CID 79046794
N-ethyl-1-ethylsulfanyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-amine
CID 65128460
[1-(3-methyl-1,4-dithian-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]hydrazine
CID 105259545
[1-pyrimidin-2-yl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]hydrazine
CID 105203641

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-hydrazinyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-1-amine?
The IUPAC name of N,N-diethyl-3-hydrazinyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-1-amine (CID 105244036) is N,N-diethyl-3-hydrazinyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-1-amine.
What is the SMILES notation for N,N-diethyl-3-hydrazinyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-1-amine?
The canonical SMILES for N,N-diethyl-3-hydrazinyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-1-amine is CCN(CC)CCC(CC1CCCc2ccccc21)NN.
What is the InChIKey of N,N-diethyl-3-hydrazinyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-1-amine?
The InChIKey is VJGYFPNOGGCRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-3-21(4-2)13-12-17(20-19)14-16-10-7-9-15-8-5-6-11-18(15)16/h5-6,8,11,16-17,20H,3-4,7,9-10,12-14,19H2,1-2H3.
What are the key properties of N,N-diethyl-3-hydrazinyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-1-amine?
N,N-diethyl-3-hydrazinyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-1-amine has a molecular weight of 289.47 g/mol, XLogP of 3.06, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-hydrazinyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-1-amine is sourced from PubChem (CID 105244036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).