5-(4-methylpentoxy)-N-propan-2-ylpentan-1-amine

C14H31NO — CID 62457764

IUPAC5-(4-methylpentoxy)-N-propan-2-ylpentan-1-amine
SMILESCC(C)CCCOCCCCCNC(C)C
InChIInChI=1S/C14H31NO/c1-13(2)9-8-12-16-11-7-5-6-10-15-14(3)4/h13-15H,5-12H2,1-4H3
InChIKeyWXNWULZRCSJVDL-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.61
Rot. Bonds11

About 5-(4-methylpentoxy)-N-propan-2-ylpentan-1-amine

5-(4-methylpentoxy)-N-propan-2-ylpentan-1-amine (PubChem CID 62457764) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is 5-(4-methylpentoxy)-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name5-(4-methylpentoxy)-N-propan-2-ylpentan-1-amine
PubChem CID62457764
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Name5-(4-methylpentoxy)-N-propan-2-ylpentan-1-amine
SMILESCC(C)CCCOCCCCCNC(C)C
InChIInChI=1S/C14H31NO/c1-13(2)9-8-12-16-11-7-5-6-10-15-14(3)4/h13-15H,5-12H2,1-4H3
InChIKeyWXNWULZRCSJVDL-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.61
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-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-propan-2-ylpentan-1-amine
CID 104566618
4-pentoxy-N-propan-2-ylbutan-1-amine
CID 62449715
13-methyl-N-propan-2-yltetradecan-1-amine;molecular hydrogen
CID 176932946
24-methyl-1-(24-methylpentacosoxy)pentacosane
CID 57087700
4-[2-(2-ethoxyethoxy)ethoxy]-N-propan-2-ylbutan-1-amine
CID 146693023
4-(4-methylpentoxy)-N-(2-methylpropyl)butan-1-amine
CID 62456980
5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-N-propan-2-ylpentan-1-amine
CID 112590039
5-(2-cyclopropylethoxy)-N-propan-2-ylpentan-1-amine
CID 106205729
6-methyl-1-[2-(6-methylheptoxy)ethoxy]heptane
CID 150695983
5-methyl-1-[2-(4-methylpentoxy)ethoxy]hexane
CID 157231841
5-methyl-N-[3-(4-methylpentoxy)propyl]hexan-1-amine
CID 163400443
4-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]pentane
CID 58371353

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpentoxy)-N-propan-2-ylpentan-1-amine?
The IUPAC name of 5-(4-methylpentoxy)-N-propan-2-ylpentan-1-amine (CID 62457764) is 5-(4-methylpentoxy)-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 5-(4-methylpentoxy)-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 5-(4-methylpentoxy)-N-propan-2-ylpentan-1-amine is CC(C)CCCOCCCCCNC(C)C.
What is the InChIKey of 5-(4-methylpentoxy)-N-propan-2-ylpentan-1-amine?
The InChIKey is WXNWULZRCSJVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-13(2)9-8-12-16-11-7-5-6-10-15-14(3)4/h13-15H,5-12H2,1-4H3.
What are the key properties of 5-(4-methylpentoxy)-N-propan-2-ylpentan-1-amine?
5-(4-methylpentoxy)-N-propan-2-ylpentan-1-amine has a molecular weight of 229.41 g/mol, XLogP of 3.61, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpentoxy)-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 62457764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).