N,N-dibenzyl-3-propan-2-yloxypropan-1-amine

C20H27NO — CID 112820656

IUPACN,N-dibenzyl-3-propan-2-yloxypropan-1-amine
SMILESCC(C)OCCCN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H27NO/c1-18(2)22-15-9-14-21(16-19-10-5-3-6-11-19)17-20-12-7-4-8-13-20/h3-8,10-13,18H,9,14-17H2,1-2H3
InChIKeyJTZYMXWGBSAMDD-UHFFFAOYSA-N
MW297.44 g/mol
LogP4.50
Rot. Bonds9

About N,N-dibenzyl-3-propan-2-yloxypropan-1-amine

N,N-dibenzyl-3-propan-2-yloxypropan-1-amine (PubChem CID 112820656) has the molecular formula C20H27NO and a molecular weight of 297.44 g/mol. Its IUPAC name is N,N-dibenzyl-3-propan-2-yloxypropan-1-amine.

Molecular Properties

Compound NameN,N-dibenzyl-3-propan-2-yloxypropan-1-amine
PubChem CID112820656
Molecular FormulaC20H27NO
Molecular Weight297.44 g/mol
Exact Mass297.21
IUPAC NameN,N-dibenzyl-3-propan-2-yloxypropan-1-amine
SMILESCC(C)OCCCN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H27NO/c1-18(2)22-15-9-14-21(16-19-10-5-3-6-11-19)17-20-12-7-4-8-13-20/h3-8,10-13,18H,9,14-17H2,1-2H3
InChIKeyJTZYMXWGBSAMDD-UHFFFAOYSA-N
XLogP4.50
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 134925977
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CID 177226788
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N-benzyl-3-bromo-N-(3-bromopropyl)propan-1-amine
CID 23242798
N,N-dibenzyl-3-phenylpropan-1-amine
CID 3867567
N,N-dibenzyldodecan-1-amine
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N,N-dibenzylnonan-1-amine;hydrochloride
CID 173190892
N,N-dibenzyl-3-fluorobutan-1-amine
CID 146026294
N-benzyl-N-(2-chloroethyl)-3-ethoxypropan-1-amine
CID 65177773
N,N-dibenzylpropan-1-amine
CID 10840212
3-[benzyl(3-ethoxypropyl)amino]-2-methylpropanoic acid
CID 82327569
(2R)-1-[benzyl(2-hydroxyethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 95358395

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-3-propan-2-yloxypropan-1-amine?
The IUPAC name of N,N-dibenzyl-3-propan-2-yloxypropan-1-amine (CID 112820656) is N,N-dibenzyl-3-propan-2-yloxypropan-1-amine.
What is the SMILES notation for N,N-dibenzyl-3-propan-2-yloxypropan-1-amine?
The canonical SMILES for N,N-dibenzyl-3-propan-2-yloxypropan-1-amine is CC(C)OCCCN(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzyl-3-propan-2-yloxypropan-1-amine?
The InChIKey is JTZYMXWGBSAMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO/c1-18(2)22-15-9-14-21(16-19-10-5-3-6-11-19)17-20-12-7-4-8-13-20/h3-8,10-13,18H,9,14-17H2,1-2H3.
What are the key properties of N,N-dibenzyl-3-propan-2-yloxypropan-1-amine?
N,N-dibenzyl-3-propan-2-yloxypropan-1-amine has a molecular weight of 297.44 g/mol, XLogP of 4.50, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-3-propan-2-yloxypropan-1-amine is sourced from PubChem (CID 112820656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).