(2S)-2-N,2-N-diamino-3-naphthalen-1-ylpropane-1,2-diamine

C13H18N4 — CID 90858078

IUPAC(2S)-2-N,2-N-diamino-3-naphthalen-1-ylpropane-1,2-diamine
SMILESNC[C@H](Cc1cccc2ccccc12)N(N)N
InChIInChI=1S/C13H18N4/c14-9-12(17(15)16)8-11-6-3-5-10-4-1-2-7-13(10)11/h1-7,12H,8-9,14-16H2/t12-/m0/s1
InChIKeyZPAYGMXSBMVMIT-LBPRGKRZSA-N
MW230.32 g/mol
LogP0.76
Rot. Bonds4

About (2S)-2-N,2-N-diamino-3-naphthalen-1-ylpropane-1,2-diamine

(2S)-2-N,2-N-diamino-3-naphthalen-1-ylpropane-1,2-diamine (PubChem CID 90858078) has the molecular formula C13H18N4 and a molecular weight of 230.32 g/mol. Its IUPAC name is (2S)-2-N,2-N-diamino-3-naphthalen-1-ylpropane-1,2-diamine.

Molecular Properties

Compound Name(2S)-2-N,2-N-diamino-3-naphthalen-1-ylpropane-1,2-diamine
PubChem CID90858078
Molecular FormulaC13H18N4
Molecular Weight230.32 g/mol
Exact Mass230.15
IUPAC Name(2S)-2-N,2-N-diamino-3-naphthalen-1-ylpropane-1,2-diamine
SMILESNC[C@H](Cc1cccc2ccccc12)N(N)N
InChIInChI=1S/C13H18N4/c14-9-12(17(15)16)8-11-6-3-5-10-4-1-2-7-13(10)11/h1-7,12H,8-9,14-16H2/t12-/m0/s1
InChIKeyZPAYGMXSBMVMIT-LBPRGKRZSA-N
XLogP0.76
TPSA81.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.32
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

(2R)-2-methyl-3-naphthalen-1-ylpropan-1-amine
CID 37134613
3-naphthalen-1-yl-2-N-(naphthalen-1-ylmethyl)propane-1,2-diamine
CID 57250877
(2S)-1-naphthalen-1-ylbutan-2-amine
CID 178163209
(2S)-2-amino-3-naphthalen-1-ylpropan-1-ol
CID 57252069
1-(2-chloropropyl)naphthalene
CID 12809422
1-chloro-2-naphthalen-1-ylethanol
CID 54087449
2-(aminomethyl)-N-ethyl-3-naphthalen-1-ylpropanamide
CID 62097513
1-(3,5-dimethylphenyl)-2-naphthalen-1-ylethanamine
CID 63527361
3-[methyl(1-naphthalen-1-ylbutan-2-yl)amino]propanoic acid
CID 84751600
2-(2-methoxy-4,5-dimethylphenyl)-3-naphthalen-1-ylpropan-1-amine
CID 83974910
1-(5-methylfuran-2-yl)-2-naphthalen-1-ylethanamine
CID 61079585
3-methoxy-1-naphthalen-1-ylpentan-2-amine
CID 116715173

Frequently Asked Questions

What is the IUPAC name of (2S)-2-N,2-N-diamino-3-naphthalen-1-ylpropane-1,2-diamine?
The IUPAC name of (2S)-2-N,2-N-diamino-3-naphthalen-1-ylpropane-1,2-diamine (CID 90858078) is (2S)-2-N,2-N-diamino-3-naphthalen-1-ylpropane-1,2-diamine.
What is the SMILES notation for (2S)-2-N,2-N-diamino-3-naphthalen-1-ylpropane-1,2-diamine?
The canonical SMILES for (2S)-2-N,2-N-diamino-3-naphthalen-1-ylpropane-1,2-diamine is NC[C@H](Cc1cccc2ccccc12)N(N)N.
What is the InChIKey of (2S)-2-N,2-N-diamino-3-naphthalen-1-ylpropane-1,2-diamine?
The InChIKey is ZPAYGMXSBMVMIT-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H18N4/c14-9-12(17(15)16)8-11-6-3-5-10-4-1-2-7-13(10)11/h1-7,12H,8-9,14-16H2/t12-/m0/s1.
What are the key properties of (2S)-2-N,2-N-diamino-3-naphthalen-1-ylpropane-1,2-diamine?
(2S)-2-N,2-N-diamino-3-naphthalen-1-ylpropane-1,2-diamine has a molecular weight of 230.32 g/mol, XLogP of 0.76, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-N,2-N-diamino-3-naphthalen-1-ylpropane-1,2-diamine is sourced from PubChem (CID 90858078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).