4-[2-[(Z)-2,3-diaminoprop-2-enyl]diazinan-1-yl]naphthalene-1-carbonitrile

C18H21N5 — CID 143284429

IUPAC4-[2-[(Z)-2,3-diaminoprop-2-enyl]diazinan-1-yl]naphthalene-1-carbonitrile
SMILESN#Cc1ccc(N2CCCCN2C/C(N)=C/N)c2ccccc12
InChIInChI=1S/C18H21N5/c19-11-14-7-8-18(17-6-2-1-5-16(14)17)23-10-4-3-9-22(23)13-15(21)12-20/h1-2,5-8,12H,3-4,9-10,13,20-21H2/b15-12-
InChIKeySSXBVBVAMRLQPY-QINSGFPZSA-N
MW307.40 g/mol
LogP2.29
Rot. Bonds3

About 4-[2-[(Z)-2,3-diaminoprop-2-enyl]diazinan-1-yl]naphthalene-1-carbonitrile

4-[2-[(Z)-2,3-diaminoprop-2-enyl]diazinan-1-yl]naphthalene-1-carbonitrile (PubChem CID 143284429) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is 4-[2-[(Z)-2,3-diaminoprop-2-enyl]diazinan-1-yl]naphthalene-1-carbonitrile.

Molecular Properties

Compound Name4-[2-[(Z)-2,3-diaminoprop-2-enyl]diazinan-1-yl]naphthalene-1-carbonitrile
PubChem CID143284429
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC Name4-[2-[(Z)-2,3-diaminoprop-2-enyl]diazinan-1-yl]naphthalene-1-carbonitrile
SMILESN#Cc1ccc(N2CCCCN2C/C(N)=C/N)c2ccccc12
InChIInChI=1S/C18H21N5/c19-11-14-7-8-18(17-6-2-1-5-16(14)17)23-10-4-3-9-22(23)13-15(21)12-20/h1-2,5-8,12H,3-4,9-10,13,20-21H2/b15-12-
InChIKeySSXBVBVAMRLQPY-QINSGFPZSA-N
XLogP2.29
TPSA82.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(cyclohexylmethyl)diazinan-1-yl]naphthalene-1-carbonitrile
CID 11559047
4-[2-(pyridin-2-ylmethyl)diazinan-1-yl]naphthalene-1-carbonitrile
CID 11529980
4-[2-[(3-bromo-4-pyridinyl)methyl]diazinan-1-yl]naphthalene-1-carbonitrile
CID 11661437
4-[2-[(4-methoxyphenyl)methyl]diazinan-1-yl]naphthalene-1-carbonitrile
CID 11559501
4-[2-[(5-methyl-1H-imidazol-4-yl)methyl]diazinan-1-yl]naphthalene-1-carbonitrile
CID 11716955
4-[2-[(5-ethynyl-3-pyridinyl)methyl]diazepan-1-yl]naphthalene-1-carbonitrile
CID 143284428
4-[2-[[3-(1,1-difluoroethyl)phenyl]methyl]diazepan-1-yl]naphthalene-1-carbonitrile
CID 143284394
4-[2-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]diazinan-1-yl]naphthalene-1-carbonitrile
CID 11552230
1-(4-cyanonaphthalen-1-yl)piperidine-4-carboxamide
CID 11514656
4-[2-[2-(2-fluoro-3-methylphenyl)acetyl]diazinan-1-yl]naphthalene-1-carbonitrile
CID 143284425
2-[1-(4-cyanonaphthalen-1-yl)piperidin-4-yl]acetic acid
CID 68711598
4-(3-aminopyrrolidin-1-yl)naphthalene-1-carbonitrile
CID 23079907

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(Z)-2,3-diaminoprop-2-enyl]diazinan-1-yl]naphthalene-1-carbonitrile?
The IUPAC name of 4-[2-[(Z)-2,3-diaminoprop-2-enyl]diazinan-1-yl]naphthalene-1-carbonitrile (CID 143284429) is 4-[2-[(Z)-2,3-diaminoprop-2-enyl]diazinan-1-yl]naphthalene-1-carbonitrile.
What is the SMILES notation for 4-[2-[(Z)-2,3-diaminoprop-2-enyl]diazinan-1-yl]naphthalene-1-carbonitrile?
The canonical SMILES for 4-[2-[(Z)-2,3-diaminoprop-2-enyl]diazinan-1-yl]naphthalene-1-carbonitrile is N#Cc1ccc(N2CCCCN2C/C(N)=C/N)c2ccccc12.
What is the InChIKey of 4-[2-[(Z)-2,3-diaminoprop-2-enyl]diazinan-1-yl]naphthalene-1-carbonitrile?
The InChIKey is SSXBVBVAMRLQPY-QINSGFPZSA-N. The full InChI is InChI=1S/C18H21N5/c19-11-14-7-8-18(17-6-2-1-5-16(14)17)23-10-4-3-9-22(23)13-15(21)12-20/h1-2,5-8,12H,3-4,9-10,13,20-21H2/b15-12-.
What are the key properties of 4-[2-[(Z)-2,3-diaminoprop-2-enyl]diazinan-1-yl]naphthalene-1-carbonitrile?
4-[2-[(Z)-2,3-diaminoprop-2-enyl]diazinan-1-yl]naphthalene-1-carbonitrile has a molecular weight of 307.40 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(Z)-2,3-diaminoprop-2-enyl]diazinan-1-yl]naphthalene-1-carbonitrile is sourced from PubChem (CID 143284429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).