N-(3,4-dihydronaphthalen-1-yl)-N',N'-dimethylpropane-1,3-diamine

C15H22N2 — CID 70271164

IUPACN-(3,4-dihydronaphthalen-1-yl)-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNC1=CCCc2ccccc21
InChIInChI=1S/C15H22N2/c1-17(2)12-6-11-16-15-10-5-8-13-7-3-4-9-14(13)15/h3-4,7,9-10,16H,5-6,8,11-12H2,1-2H3
InChIKeyIDOVLEKZNDTEIK-UHFFFAOYSA-N
MW230.36 g/mol
LogP2.52
Rot. Bonds5

About N-(3,4-dihydronaphthalen-1-yl)-N',N'-dimethylpropane-1,3-diamine

N-(3,4-dihydronaphthalen-1-yl)-N',N'-dimethylpropane-1,3-diamine (PubChem CID 70271164) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is N-(3,4-dihydronaphthalen-1-yl)-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(3,4-dihydronaphthalen-1-yl)-N',N'-dimethylpropane-1,3-diamine
PubChem CID70271164
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC NameN-(3,4-dihydronaphthalen-1-yl)-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNC1=CCCc2ccccc21
InChIInChI=1S/C15H22N2/c1-17(2)12-6-11-16-15-10-5-8-13-7-3-4-9-14(13)15/h3-4,7,9-10,16H,5-6,8,11-12H2,1-2H3
InChIKeyIDOVLEKZNDTEIK-UHFFFAOYSA-N
XLogP2.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydronaphthalen-1-yl)-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-(3,4-dihydronaphthalen-1-yl)-N',N'-dimethylpropane-1,3-diamine (CID 70271164) is N-(3,4-dihydronaphthalen-1-yl)-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-(3,4-dihydronaphthalen-1-yl)-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-(3,4-dihydronaphthalen-1-yl)-N',N'-dimethylpropane-1,3-diamine is CN(C)CCCNC1=CCCc2ccccc21.
What is the InChIKey of N-(3,4-dihydronaphthalen-1-yl)-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is IDOVLEKZNDTEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-17(2)12-6-11-16-15-10-5-8-13-7-3-4-9-14(13)15/h3-4,7,9-10,16H,5-6,8,11-12H2,1-2H3.
What are the key properties of N-(3,4-dihydronaphthalen-1-yl)-N',N'-dimethylpropane-1,3-diamine?
N-(3,4-dihydronaphthalen-1-yl)-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 230.36 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydronaphthalen-1-yl)-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 70271164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).