1-[(2-methylpropan-2-yl)oxy]-N-propylheptan-4-amine

C14H31NO — CID 112590468

IUPAC1-[(2-methylpropan-2-yl)oxy]-N-propylheptan-4-amine
SMILESCCCNC(CCC)CCCOC(C)(C)C
InChIInChI=1S/C14H31NO/c1-6-9-13(15-11-7-2)10-8-12-16-14(3,4)5/h13,15H,6-12H2,1-5H3
InChIKeyZLHNKOCVWUTBHX-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.75
Rot. Bonds9

About 1-[(2-methylpropan-2-yl)oxy]-N-propylheptan-4-amine

1-[(2-methylpropan-2-yl)oxy]-N-propylheptan-4-amine (PubChem CID 112590468) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxy]-N-propylheptan-4-amine.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxy]-N-propylheptan-4-amine
PubChem CID112590468
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Name1-[(2-methylpropan-2-yl)oxy]-N-propylheptan-4-amine
SMILESCCCNC(CCC)CCCOC(C)(C)C
InChIInChI=1S/C14H31NO/c1-6-9-13(15-11-7-2)10-8-12-16-14(3,4)5/h13,15H,6-12H2,1-5H3
InChIKeyZLHNKOCVWUTBHX-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.75
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

1-propoxy-N-propylheptan-4-amine
CID 79568616
1-methoxy-N-propylhexan-3-amine
CID 61412304
1-[(2-methylpropan-2-yl)oxy]heptan-4-amine
CID 112590452
N-(3-butoxypropyl)heptan-4-amine
CID 115676243
1-methoxy-N-propyldodecan-4-amine
CID 65091880
1-tert-butylsulfonyl-N-propylheptan-4-amine
CID 106727136
N-[2-[(2-methylpropan-2-yl)oxy]ethyl]pentan-2-amine
CID 62597643
4-[(2-methylpropan-2-yl)oxy]-2-(propylamino)butanenitrile
CID 63028202
1-ethoxy-7-methyl-N-propyloctan-4-amine
CID 105127229
3-N-propylhexane-1,3-diamine
CID 88724695
2,2,8,8-tetramethyl-N-propylnonan-5-amine
CID 173351827
N-pentyloctan-4-amine
CID 106023306

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxy]-N-propylheptan-4-amine?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxy]-N-propylheptan-4-amine (CID 112590468) is 1-[(2-methylpropan-2-yl)oxy]-N-propylheptan-4-amine.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxy]-N-propylheptan-4-amine?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxy]-N-propylheptan-4-amine is CCCNC(CCC)CCCOC(C)(C)C.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxy]-N-propylheptan-4-amine?
The InChIKey is ZLHNKOCVWUTBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-6-9-13(15-11-7-2)10-8-12-16-14(3,4)5/h13,15H,6-12H2,1-5H3.
What are the key properties of 1-[(2-methylpropan-2-yl)oxy]-N-propylheptan-4-amine?
1-[(2-methylpropan-2-yl)oxy]-N-propylheptan-4-amine has a molecular weight of 229.41 g/mol, XLogP of 3.75, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxy]-N-propylheptan-4-amine is sourced from PubChem (CID 112590468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).