3-(4-methylpentoxy)-N-propan-2-yl-N-propylpropan-1-amine

C15H33NO — CID 164556993

IUPAC3-(4-methylpentoxy)-N-propan-2-yl-N-propylpropan-1-amine
SMILESCCCN(CCCOCCCC(C)C)C(C)C
InChIInChI=1S/C15H33NO/c1-6-10-16(15(4)5)11-8-13-17-12-7-9-14(2)3/h14-15H,6-13H2,1-5H3
InChIKeyDNTPVXHSCBEWHS-UHFFFAOYSA-N
MW243.43 g/mol
LogP3.95
Rot. Bonds11

About 3-(4-methylpentoxy)-N-propan-2-yl-N-propylpropan-1-amine

3-(4-methylpentoxy)-N-propan-2-yl-N-propylpropan-1-amine (PubChem CID 164556993) has the molecular formula C15H33NO and a molecular weight of 243.43 g/mol. Its IUPAC name is 3-(4-methylpentoxy)-N-propan-2-yl-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-(4-methylpentoxy)-N-propan-2-yl-N-propylpropan-1-amine
PubChem CID164556993
Molecular FormulaC15H33NO
Molecular Weight243.43 g/mol
Exact Mass243.26
IUPAC Name3-(4-methylpentoxy)-N-propan-2-yl-N-propylpropan-1-amine
SMILESCCCN(CCCOCCCC(C)C)C(C)C
InChIInChI=1S/C15H33NO/c1-6-10-16(15(4)5)11-8-13-17-12-7-9-14(2)3/h14-15H,6-13H2,1-5H3
InChIKeyDNTPVXHSCBEWHS-UHFFFAOYSA-N
XLogP3.95
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.43
LogP ≤ 53.95
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

2-methyl-N-(3-pentoxypropyl)-N-propan-2-ylpropan-1-amine
CID 167156460
4-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]pentane
CID 58371353
N-ethyl-N-methyl-3-[3-(4-methylpentoxy)propoxy]propan-1-amine
CID 164906899
3-[2-(3-methylbutoxy)ethyl-propan-2-ylamino]propan-1-ol
CID 62015016
N-(2-chloroethyl)-3-(2-methoxyethoxy)-N-propan-2-ylpropan-1-amine
CID 103413010
6-chloro-N-propan-2-yl-N-propylhexan-1-amine
CID 62227256
5-methyl-1-[2-(4-methylpentoxy)ethoxy]hexane
CID 157231841
N-methyl-3-(4-methylpentoxy)-N-(methylsulfanylmethyl)propan-1-amine
CID 138728387
N'-[3-(2-methoxyethoxy)propyl]-N'-propan-2-ylpropane-1,3-diamine
CID 103409174
N-[3-(4-methylpentoxy)propyl]-N-(2-methylpropyl)cyclopropanamine
CID 138728540
2-methyl-N'-propan-2-yl-N'-propylpentane-1,5-diamine
CID 82682516
N-butyl-N-propan-2-ylbutan-1-amine;hydrochloride
CID 173040344

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpentoxy)-N-propan-2-yl-N-propylpropan-1-amine?
The IUPAC name of 3-(4-methylpentoxy)-N-propan-2-yl-N-propylpropan-1-amine (CID 164556993) is 3-(4-methylpentoxy)-N-propan-2-yl-N-propylpropan-1-amine.
What is the SMILES notation for 3-(4-methylpentoxy)-N-propan-2-yl-N-propylpropan-1-amine?
The canonical SMILES for 3-(4-methylpentoxy)-N-propan-2-yl-N-propylpropan-1-amine is CCCN(CCCOCCCC(C)C)C(C)C.
What is the InChIKey of 3-(4-methylpentoxy)-N-propan-2-yl-N-propylpropan-1-amine?
The InChIKey is DNTPVXHSCBEWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO/c1-6-10-16(15(4)5)11-8-13-17-12-7-9-14(2)3/h14-15H,6-13H2,1-5H3.
What are the key properties of 3-(4-methylpentoxy)-N-propan-2-yl-N-propylpropan-1-amine?
3-(4-methylpentoxy)-N-propan-2-yl-N-propylpropan-1-amine has a molecular weight of 243.43 g/mol, XLogP of 3.95, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpentoxy)-N-propan-2-yl-N-propylpropan-1-amine is sourced from PubChem (CID 164556993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).