2,2-dimethyl-1-naphthalen-2-yl-N-propylpropan-1-amine

C18H25N — CID 63413588

IUPAC2,2-dimethyl-1-naphthalen-2-yl-N-propylpropan-1-amine
SMILESCCCNC(c1ccc2ccccc2c1)C(C)(C)C
InChIInChI=1S/C18H25N/c1-5-12-19-17(18(2,3)4)16-11-10-14-8-6-7-9-15(14)13-16/h6-11,13,17,19H,5,12H2,1-4H3
InChIKeyTVZYNIUJTNVHFO-UHFFFAOYSA-N
MW255.41 g/mol
LogP4.93
Rot. Bonds4

About 2,2-dimethyl-1-naphthalen-2-yl-N-propylpropan-1-amine

2,2-dimethyl-1-naphthalen-2-yl-N-propylpropan-1-amine (PubChem CID 63413588) has the molecular formula C18H25N and a molecular weight of 255.41 g/mol. Its IUPAC name is 2,2-dimethyl-1-naphthalen-2-yl-N-propylpropan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-1-naphthalen-2-yl-N-propylpropan-1-amine
PubChem CID63413588
Molecular FormulaC18H25N
Molecular Weight255.41 g/mol
Exact Mass255.20
IUPAC Name2,2-dimethyl-1-naphthalen-2-yl-N-propylpropan-1-amine
SMILESCCCNC(c1ccc2ccccc2c1)C(C)(C)C
InChIInChI=1S/C18H25N/c1-5-12-19-17(18(2,3)4)16-11-10-14-8-6-7-9-15(14)13-16/h6-11,13,17,19H,5,12H2,1-4H3
InChIKeyTVZYNIUJTNVHFO-UHFFFAOYSA-N
XLogP4.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dimethyl-1-naphthalen-2-yl-N-propylbutan-1-amine
CID 115851112
2-methoxy-2-methyl-1-naphthalen-2-yl-N-propylpropan-1-amine
CID 79196999
3-naphthalen-2-yl-N-propylbutan-2-amine
CID 66437220
2-naphthalen-2-yl-2-(propylamino)ethanol
CID 61055183
N-[naphthalen-2-yl(pyrimidin-2-yl)methyl]propan-1-amine
CID 62790717
2-naphthalen-2-yl-2-(propylamino)acetic acid
CID 43754123
3-naphthalen-2-yl-3-(propylamino)propan-1-ol
CID 64814482
1-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethyl-N-propylpropan-1-amine
CID 43496762
1-(6-bromonaphthalen-2-yl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 115854226
2-methoxy-1-naphthalen-2-yl-N-propylpropan-1-amine
CID 79616716
2,2-dimethyl-1-(2-methyl-4-pyridinyl)-N-propylpropan-1-amine
CID 106755303
1-(3-cyclopropyloxyphenyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 114521578

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-naphthalen-2-yl-N-propylpropan-1-amine?
The IUPAC name of 2,2-dimethyl-1-naphthalen-2-yl-N-propylpropan-1-amine (CID 63413588) is 2,2-dimethyl-1-naphthalen-2-yl-N-propylpropan-1-amine.
What is the SMILES notation for 2,2-dimethyl-1-naphthalen-2-yl-N-propylpropan-1-amine?
The canonical SMILES for 2,2-dimethyl-1-naphthalen-2-yl-N-propylpropan-1-amine is CCCNC(c1ccc2ccccc2c1)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-1-naphthalen-2-yl-N-propylpropan-1-amine?
The InChIKey is TVZYNIUJTNVHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N/c1-5-12-19-17(18(2,3)4)16-11-10-14-8-6-7-9-15(14)13-16/h6-11,13,17,19H,5,12H2,1-4H3.
What are the key properties of 2,2-dimethyl-1-naphthalen-2-yl-N-propylpropan-1-amine?
2,2-dimethyl-1-naphthalen-2-yl-N-propylpropan-1-amine has a molecular weight of 255.41 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-naphthalen-2-yl-N-propylpropan-1-amine is sourced from PubChem (CID 63413588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).