2,2-dimethyl-N-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-amine

C18H29N — CID 55188342

IUPAC2,2-dimethyl-N-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-amine
SMILESCCCNC(C1CCCc2ccccc21)C(C)(C)C
InChIInChI=1S/C18H29N/c1-5-13-19-17(18(2,3)4)16-12-8-10-14-9-6-7-11-15(14)16/h6-7,9,11,16-17,19H,5,8,10,12-13H2,1-4H3
InChIKeyKNNJBBXZRVMQMQ-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.52
Rot. Bonds4

About 2,2-dimethyl-N-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-amine

2,2-dimethyl-N-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-amine (PubChem CID 55188342) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 2,2-dimethyl-N-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-amine
PubChem CID55188342
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name2,2-dimethyl-N-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-amine
SMILESCCCNC(C1CCCc2ccccc21)C(C)(C)C
InChIInChI=1S/C18H29N/c1-5-13-19-17(18(2,3)4)16-12-8-10-14-9-6-7-11-15(14)16/h6-7,9,11,16-17,19H,5,8,10,12-13H2,1-4H3
InChIKeyKNNJBBXZRVMQMQ-UHFFFAOYSA-N
XLogP4.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pentan-1-amine
CID 55188345
N-[cyclohexyl(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propan-1-amine
CID 63418251
N-ethyl-2-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-amine
CID 55175096
4-methyl-N-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pent-4-en-1-amine
CID 114474715
N-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-amine
CID 55241508
N-[(1-methylimidazol-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propan-1-amine
CID 63974331
1-(2,3-dihydro-1H-inden-1-yl)-3-methyl-N-propylbutan-1-amine
CID 65403398
N-[(4-methylcyclohexyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]ethanamine
CID 64774222
ethane;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 144539733
1-icosan-8-yl-1,2,3,4-tetrahydronaphthalene
CID 175494887
2-cyclopentyl-N-ethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 63418635
N-ethyl-2-propoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 79575553

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-amine?
The IUPAC name of 2,2-dimethyl-N-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-amine (CID 55188342) is 2,2-dimethyl-N-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-amine is CCCNC(C1CCCc2ccccc21)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-amine?
The InChIKey is KNNJBBXZRVMQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-5-13-19-17(18(2,3)4)16-12-8-10-14-9-6-7-11-15(14)16/h6-7,9,11,16-17,19H,5,8,10,12-13H2,1-4H3.
What are the key properties of 2,2-dimethyl-N-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-amine?
2,2-dimethyl-N-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-amine has a molecular weight of 259.44 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-amine is sourced from PubChem (CID 55188342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).