3-N-[(6-methylnaphthalen-2-yl)methyl]propane-1,2,3-triamine

C15H21N3 — CID 115119779

IUPAC3-N-[(6-methylnaphthalen-2-yl)methyl]propane-1,2,3-triamine
SMILESCc1ccc2cc(CNCC(N)CN)ccc2c1
InChIInChI=1S/C15H21N3/c1-11-2-4-14-7-12(3-5-13(14)6-11)9-18-10-15(17)8-16/h2-7,15,18H,8-10,16-17H2,1H3
InChIKeyJLDMTQMFPDNHSB-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.52
Rot. Bonds5

About 3-N-[(6-methylnaphthalen-2-yl)methyl]propane-1,2,3-triamine

3-N-[(6-methylnaphthalen-2-yl)methyl]propane-1,2,3-triamine (PubChem CID 115119779) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-N-[(6-methylnaphthalen-2-yl)methyl]propane-1,2,3-triamine.

Molecular Properties

Compound Name3-N-[(6-methylnaphthalen-2-yl)methyl]propane-1,2,3-triamine
PubChem CID115119779
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name3-N-[(6-methylnaphthalen-2-yl)methyl]propane-1,2,3-triamine
SMILESCc1ccc2cc(CNCC(N)CN)ccc2c1
InChIInChI=1S/C15H21N3/c1-11-2-4-14-7-12(3-5-13(14)6-11)9-18-10-15(17)8-16/h2-7,15,18H,8-10,16-17H2,1H3
InChIKeyJLDMTQMFPDNHSB-UHFFFAOYSA-N
XLogP1.52
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(6-methylnaphthalen-2-yl)methylamino]acetamide
CID 115259951
3-N-[(4-ethoxy-3-methylphenyl)methyl]propane-1,2,3-triamine
CID 115119699
2-[(6-methylnaphthalen-2-yl)methylamino]acetonitrile
CID 115131051
3-N-[(4-propylphenyl)methyl]propane-1,2,3-triamine
CID 115119666
3-methyl-1-N-[(6-methylnaphthalen-2-yl)methyl]butane-1,3-diamine
CID 115200672
1-amino-3-[2-(6-methylnaphthalen-2-yl)ethylamino]propan-2-ol
CID 115121687
3-N-[(4-phenylphenyl)methyl]propane-1,2,3-triamine
CID 115119687
N'-[2-(6-methylnaphthalen-2-yl)ethyl]ethane-1,2-diamine
CID 115195493
6-[(2,3-diaminopropylamino)methyl]-3-methyl-1,3-benzoxazol-2-one
CID 115119749
2,2-dimethyl-3-(6-methylnaphthalen-2-yl)propan-1-amine
CID 116924796
(2R)-4-(6-methylnaphthalen-2-yl)butan-2-amine
CID 163572884
3-N-[(3,4,5-trimethoxyphenyl)methyl]propane-1,2,3-triamine
CID 115119766

Frequently Asked Questions

What is the IUPAC name of 3-N-[(6-methylnaphthalen-2-yl)methyl]propane-1,2,3-triamine?
The IUPAC name of 3-N-[(6-methylnaphthalen-2-yl)methyl]propane-1,2,3-triamine (CID 115119779) is 3-N-[(6-methylnaphthalen-2-yl)methyl]propane-1,2,3-triamine.
What is the SMILES notation for 3-N-[(6-methylnaphthalen-2-yl)methyl]propane-1,2,3-triamine?
The canonical SMILES for 3-N-[(6-methylnaphthalen-2-yl)methyl]propane-1,2,3-triamine is Cc1ccc2cc(CNCC(N)CN)ccc2c1.
What is the InChIKey of 3-N-[(6-methylnaphthalen-2-yl)methyl]propane-1,2,3-triamine?
The InChIKey is JLDMTQMFPDNHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-11-2-4-14-7-12(3-5-13(14)6-11)9-18-10-15(17)8-16/h2-7,15,18H,8-10,16-17H2,1H3.
What are the key properties of 3-N-[(6-methylnaphthalen-2-yl)methyl]propane-1,2,3-triamine?
3-N-[(6-methylnaphthalen-2-yl)methyl]propane-1,2,3-triamine has a molecular weight of 243.35 g/mol, XLogP of 1.52, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(6-methylnaphthalen-2-yl)methyl]propane-1,2,3-triamine is sourced from PubChem (CID 115119779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).