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

C17H27N — CID 55241508

IUPACN-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-amine
SMILESCCCNC(CC)CC1CCCc2ccccc21
InChIInChI=1S/C17H27N/c1-3-12-18-16(4-2)13-15-10-7-9-14-8-5-6-11-17(14)15/h5-6,8,11,15-16,18H,3-4,7,9-10,12-13H2,1-2H3
InChIKeyXNFZOHCFKVMJQY-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.27
Rot. Bonds6

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

N-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-amine (PubChem CID 55241508) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is N-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-amine.

Molecular Properties

Compound NameN-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-amine
PubChem CID55241508
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC NameN-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-amine
SMILESCCCNC(CC)CC1CCCc2ccccc21
InChIInChI=1S/C17H27N/c1-3-12-18-16(4-2)13-15-10-7-9-14-8-5-6-11-17(14)15/h5-6,8,11,15-16,18H,3-4,7,9-10,12-13H2,1-2H3
InChIKeyXNFZOHCFKVMJQY-UHFFFAOYSA-N
XLogP4.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)heptan-2-amine
CID 115812394
1-chloro-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pentan-3-amine
CID 113496280
N-ethyl-1-ethylsulfanyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-amine
CID 65128460
1-(3,4-dihydro-2H-chromen-4-yl)-N-propylbutan-2-amine
CID 113451314
1-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 54453127
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-methyl-N-propylhexan-2-amine
CID 105003602
N-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pentan-2-amine
CID 62042774
2,2-dimethyl-N-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-amine
CID 55188342
[3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pentan-2-yl]hydrazine
CID 105219620
(1R)-1-cyclohexyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine
CID 81384440
N-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pentan-1-amine
CID 55188345
3,3-dimethyl-N-propyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-1-amine
CID 81022863

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-amine?
The IUPAC name of N-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-amine (CID 55241508) is N-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-amine.
What is the SMILES notation for N-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-amine?
The canonical SMILES for N-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-amine is CCCNC(CC)CC1CCCc2ccccc21.
What is the InChIKey of N-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-amine?
The InChIKey is XNFZOHCFKVMJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-3-12-18-16(4-2)13-15-10-7-9-14-8-5-6-11-17(14)15/h5-6,8,11,15-16,18H,3-4,7,9-10,12-13H2,1-2H3.
What are the key properties of N-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-amine?
N-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-amine has a molecular weight of 245.41 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-amine is sourced from PubChem (CID 55241508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).