N-tert-butyl-5-(2,3-dihydro-1H-inden-5-yloxy)pentan-1-amine

C18H29NO — CID 62458571

IUPACN-tert-butyl-5-(2,3-dihydro-1H-inden-5-yloxy)pentan-1-amine
SMILESCC(C)(C)NCCCCCOc1ccc2c(c1)CCC2
InChIInChI=1S/C18H29NO/c1-18(2,3)19-12-5-4-6-13-20-17-11-10-15-8-7-9-16(15)14-17/h10-11,14,19H,4-9,12-13H2,1-3H3
InChIKeyPDQMUPUUKDFPEK-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.11
Rot. Bonds7

About N-tert-butyl-5-(2,3-dihydro-1H-inden-5-yloxy)pentan-1-amine

N-tert-butyl-5-(2,3-dihydro-1H-inden-5-yloxy)pentan-1-amine (PubChem CID 62458571) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-tert-butyl-5-(2,3-dihydro-1H-inden-5-yloxy)pentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-5-(2,3-dihydro-1H-inden-5-yloxy)pentan-1-amine
PubChem CID62458571
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-tert-butyl-5-(2,3-dihydro-1H-inden-5-yloxy)pentan-1-amine
SMILESCC(C)(C)NCCCCCOc1ccc2c(c1)CCC2
InChIInChI=1S/C18H29NO/c1-18(2,3)19-12-5-4-6-13-20-17-11-10-15-8-7-9-16(15)14-17/h10-11,14,19H,4-9,12-13H2,1-3H3
InChIKeyPDQMUPUUKDFPEK-UHFFFAOYSA-N
XLogP4.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.11
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

5-(2,3-dihydro-1H-inden-5-yloxy)-N-propylpentan-1-amine
CID 55077053
4-(2,3-dihydro-1H-inden-5-yloxy)-N-propan-2-ylbutan-1-amine
CID 62460874
N-ethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine
CID 55075397
5-(6-chlorohexoxy)-2,3-dihydro-1H-indene
CID 63499663
2-(2,3-dihydro-1H-inden-5-yloxy)-N-methylethanamine
CID 14809522
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]hexan-1-amine
CID 63516360
4-(2,3-dihydro-1H-inden-5-yloxy)-N,2-dimethylbutan-2-amine
CID 94686046
N-tert-butyl-5-(4-tert-butylphenoxy)pentan-1-amine
CID 63497163
2-[3-(2,3-dihydro-1H-inden-5-yloxy)propoxy]-N-ethylethanamine
CID 82353891
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-methylaniline
CID 62599410
3-(2,3-dihydro-1H-inden-5-yloxy)propyl-dimethylazanium
CID 7380399
N-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]cyclopropanamine
CID 29015190

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-(2,3-dihydro-1H-inden-5-yloxy)pentan-1-amine?
The IUPAC name of N-tert-butyl-5-(2,3-dihydro-1H-inden-5-yloxy)pentan-1-amine (CID 62458571) is N-tert-butyl-5-(2,3-dihydro-1H-inden-5-yloxy)pentan-1-amine.
What is the SMILES notation for N-tert-butyl-5-(2,3-dihydro-1H-inden-5-yloxy)pentan-1-amine?
The canonical SMILES for N-tert-butyl-5-(2,3-dihydro-1H-inden-5-yloxy)pentan-1-amine is CC(C)(C)NCCCCCOc1ccc2c(c1)CCC2.
What is the InChIKey of N-tert-butyl-5-(2,3-dihydro-1H-inden-5-yloxy)pentan-1-amine?
The InChIKey is PDQMUPUUKDFPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-18(2,3)19-12-5-4-6-13-20-17-11-10-15-8-7-9-16(15)14-17/h10-11,14,19H,4-9,12-13H2,1-3H3.
What are the key properties of N-tert-butyl-5-(2,3-dihydro-1H-inden-5-yloxy)pentan-1-amine?
N-tert-butyl-5-(2,3-dihydro-1H-inden-5-yloxy)pentan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-(2,3-dihydro-1H-inden-5-yloxy)pentan-1-amine is sourced from PubChem (CID 62458571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).