N-(2-methylpropyl)-5-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pentan-1-amine

C19H31NO — CID 62455421

IUPACN-(2-methylpropyl)-5-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pentan-1-amine
SMILESCC(C)CNCCCCCOC1CCCc2ccccc21
InChIInChI=1S/C19H31NO/c1-16(2)15-20-13-6-3-7-14-21-19-12-8-10-17-9-4-5-11-18(17)19/h4-5,9,11,16,19-20H,3,6-8,10,12-15H2,1-2H3
InChIKeyDGWDVMQZAVPSSL-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.50
Rot. Bonds9

About N-(2-methylpropyl)-5-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pentan-1-amine

N-(2-methylpropyl)-5-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pentan-1-amine (PubChem CID 62455421) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-(2-methylpropyl)-5-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pentan-1-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-5-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pentan-1-amine
PubChem CID62455421
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-(2-methylpropyl)-5-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pentan-1-amine
SMILESCC(C)CNCCCCCOC1CCCc2ccccc21
InChIInChI=1S/C19H31NO/c1-16(2)15-20-13-6-3-7-14-21-19-12-8-10-17-9-4-5-11-18(17)19/h4-5,9,11,16,19-20H,3,6-8,10,12-15H2,1-2H3
InChIKeyDGWDVMQZAVPSSL-UHFFFAOYSA-N
XLogP4.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.50
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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Related Compounds

2-methyl-3-(methylamino)-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]propanamide
CID 119787357
N-ethyl-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethanamine;hydrochloride
CID 67867639
N-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethyl]butan-2-amine
CID 62571109
2-methyl-1-propan-2-yl-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine
CID 111792021
1-[(2R)-1-hydroxypropan-2-yl]-3-[3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]urea
CID 95906107
1-[(2R)-4-hydroxybutan-2-yl]-3-[3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]urea
CID 97086994
1-(2-chloroethoxy)-1,2,3,4-tetrahydronaphthalene
CID 43135615
5-cyclohexyloxy-N-(2-methylpropyl)pentan-1-amine
CID 62443659
2-(methylamino)-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)butanenitrile
CID 63027618
2-amino-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]acetamide;hydrochloride
CID 119325756
N'-methyl-N-(2-methylpropyl)-N'-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethane-1,2-diamine
CID 63772976
4-amino-3-methoxy-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]butanamide
CID 120592406

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-5-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pentan-1-amine?
The IUPAC name of N-(2-methylpropyl)-5-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pentan-1-amine (CID 62455421) is N-(2-methylpropyl)-5-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pentan-1-amine.
What is the SMILES notation for N-(2-methylpropyl)-5-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pentan-1-amine?
The canonical SMILES for N-(2-methylpropyl)-5-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pentan-1-amine is CC(C)CNCCCCCOC1CCCc2ccccc21.
What is the InChIKey of N-(2-methylpropyl)-5-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pentan-1-amine?
The InChIKey is DGWDVMQZAVPSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-16(2)15-20-13-6-3-7-14-21-19-12-8-10-17-9-4-5-11-18(17)19/h4-5,9,11,16,19-20H,3,6-8,10,12-15H2,1-2H3.
What are the key properties of N-(2-methylpropyl)-5-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pentan-1-amine?
N-(2-methylpropyl)-5-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pentan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 4.50, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-5-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pentan-1-amine is sourced from PubChem (CID 62455421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).