N-propan-2-yl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine

C17H27N — CID 65305272

IUPACN-propan-2-yl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine
SMILESCC(C)NCCCCc1ccc2c(c1)CCCC2
InChIInChI=1S/C17H27N/c1-14(2)18-12-6-5-7-15-10-11-16-8-3-4-9-17(16)13-15/h10-11,13-14,18H,3-9,12H2,1-2H3
InChIKeyGECFBIRMZZENMH-UHFFFAOYSA-N
MW245.41 g/mol
LogP3.89
Rot. Bonds6

About N-propan-2-yl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine

N-propan-2-yl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine (PubChem CID 65305272) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is N-propan-2-yl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine
PubChem CID65305272
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC NameN-propan-2-yl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine
SMILESCC(C)NCCCCc1ccc2c(c1)CCCC2
InChIInChI=1S/C17H27N/c1-14(2)18-12-6-5-7-15-10-11-16-8-3-4-9-17(16)13-15/h10-11,13-14,18H,3-9,12H2,1-2H3
InChIKeyGECFBIRMZZENMH-UHFFFAOYSA-N
XLogP3.89
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 ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-propan-2-yl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methylpropyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)hexan-1-amine
CID 65308449
6-(3,4-dimethylphenyl)-N-propan-2-ylhexan-1-amine
CID 65308314
3-(2,3-dihydro-1H-indol-6-yl)-N-propan-2-ylpropan-1-amine
CID 115105435
4-(4-butylphenyl)-N-propan-2-ylbutan-1-amine
CID 65305422
N-(2,3-dihydro-1H-inden-5-ylmethyl)propan-2-amine
CID 43163778
4-(2,3-dihydro-1H-inden-5-yloxy)-N-propan-2-ylbutan-1-amine
CID 62460874
4-(1,3-benzodioxol-5-yl)-N-propan-2-ylbutan-1-amine
CID 98014825
6-(3,4-diethylphenyl)-N-propan-2-ylhexan-1-amine
CID 115483370
6-(4-methylphenyl)-N-propan-2-ylhexan-1-amine
CID 65308626
6-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 19914431
N-[4-(2,3-dihydro-1H-inden-5-yl)butyl]cyclopentanamine
CID 98016854
N-propan-2-yl-5-(4-propan-2-ylphenyl)pentan-1-amine
CID 65305501

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine?
The IUPAC name of N-propan-2-yl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine (CID 65305272) is N-propan-2-yl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine.
What is the SMILES notation for N-propan-2-yl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine?
The canonical SMILES for N-propan-2-yl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine is CC(C)NCCCCc1ccc2c(c1)CCCC2.
What is the InChIKey of N-propan-2-yl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine?
The InChIKey is GECFBIRMZZENMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-14(2)18-12-6-5-7-15-10-11-16-8-3-4-9-17(16)13-15/h10-11,13-14,18H,3-9,12H2,1-2H3.
What are the key properties of N-propan-2-yl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine?
N-propan-2-yl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine is sourced from PubChem (CID 65305272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).