4-(4-methylpentoxy)-N-(2-methylpropyl)butan-1-amine

C14H31NO — CID 62456980

IUPAC4-(4-methylpentoxy)-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CCCOCCCCNCC(C)C
InChIInChI=1S/C14H31NO/c1-13(2)8-7-11-16-10-6-5-9-15-12-14(3)4/h13-15H,5-12H2,1-4H3
InChIKeyWTLBFCRGSNBBID-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.46
Rot. Bonds11

About 4-(4-methylpentoxy)-N-(2-methylpropyl)butan-1-amine

4-(4-methylpentoxy)-N-(2-methylpropyl)butan-1-amine (PubChem CID 62456980) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is 4-(4-methylpentoxy)-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name4-(4-methylpentoxy)-N-(2-methylpropyl)butan-1-amine
PubChem CID62456980
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Name4-(4-methylpentoxy)-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CCCOCCCCNCC(C)C
InChIInChI=1S/C14H31NO/c1-13(2)8-7-11-16-10-6-5-9-15-12-14(3)4/h13-15H,5-12H2,1-4H3
InChIKeyWTLBFCRGSNBBID-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
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

2-methyl-N-[3-[3-(4-methylpentoxy)propoxy]propyl]propan-1-amine;molecular hydrogen
CID 158253210
2-methyl-N-[2-(4-methylpentoxy)ethyl]propan-1-amine;molecular hydrogen
CID 157169252
5-methyl-N-[3-(4-methylpentoxy)propyl]hexan-1-amine
CID 163400443
4-(2-methoxyethoxy)-N-(2-methylpropyl)butan-1-amine
CID 62456720
4-hexoxy-N-(2-methylpropyl)butan-1-amine
CID 62455139
4-ethoxy-N-(2-methylpropyl)butan-1-amine
CID 60957098
N-(2-methoxyethyl)-4-(4-methylpentoxy)butan-1-amine
CID 62597263
N,N,2-trimethyl-1-[4-(2-methylpropylamino)butoxy]propan-2-amine
CID 79679402
4-methyl-N-(2-methylpropyl)pentan-1-amine
CID 54104955
6-[2-(3-methoxypropoxy)ethoxy]-N-(2-methylpropyl)hexan-1-amine
CID 103181280
5-(4-methylpentoxy)-N-propan-2-ylpentan-1-amine
CID 62457764
N-[3-[2-(2-methoxyethoxy)ethoxy]propyl]-2-methylpropan-1-amine
CID 104560835

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpentoxy)-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 4-(4-methylpentoxy)-N-(2-methylpropyl)butan-1-amine (CID 62456980) is 4-(4-methylpentoxy)-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 4-(4-methylpentoxy)-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 4-(4-methylpentoxy)-N-(2-methylpropyl)butan-1-amine is CC(C)CCCOCCCCNCC(C)C.
What is the InChIKey of 4-(4-methylpentoxy)-N-(2-methylpropyl)butan-1-amine?
The InChIKey is WTLBFCRGSNBBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-13(2)8-7-11-16-10-6-5-9-15-12-14(3)4/h13-15H,5-12H2,1-4H3.
What are the key properties of 4-(4-methylpentoxy)-N-(2-methylpropyl)butan-1-amine?
4-(4-methylpentoxy)-N-(2-methylpropyl)butan-1-amine has a molecular weight of 229.41 g/mol, XLogP of 3.46, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpentoxy)-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 62456980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).