4-butoxy-2-ethyl-N-(2-methylpropyl)butan-1-amine

C14H31NO — CID 62514326

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

About 4-butoxy-2-ethyl-N-(2-methylpropyl)butan-1-amine

4-butoxy-2-ethyl-N-(2-methylpropyl)butan-1-amine (PubChem CID 62514326) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is 4-butoxy-2-ethyl-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name4-butoxy-2-ethyl-N-(2-methylpropyl)butan-1-amine
PubChem CID62514326
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Name4-butoxy-2-ethyl-N-(2-methylpropyl)butan-1-amine
SMILESCCCCOCCC(CC)CNCC(C)C
InChIInChI=1S/C14H31NO/c1-5-7-9-16-10-8-14(6-2)12-15-11-13(3)4/h13-15H,5-12H2,1-4H3
InChIKeyKBJCRWHQJAHZFJ-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-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-(2-methylpropyl)pentan-1-amine
CID 104566397
3-(2-butoxyethoxy)-N-(2-methylpropyl)butan-1-amine
CID 115002619
2-ethyl-5-methyl-N-(2-methylpropyl)hexan-1-amine
CID 62515552
2-methyl-N-(2-methylpropyl)-4-propoxybutan-1-amine
CID 79568932
1-[2-(2-butoxyethoxy)ethoxy]-3-methylbutane
CID 88620736
N-(2-heptoxyethyl)-2-methylpropan-1-amine
CID 62457906
4-hexoxy-N-(2-methylpropyl)butan-1-amine
CID 62455139
magnesium;2-ethyl-N-(2-ethylhexyl)hexan-1-amine;dichloride
CID 174776336
N-(2-methylpropyl)-2-propylheptan-1-amine
CID 63523290
2-ethyl-N-(2-methoxypropyl)hexan-1-amine
CID 102697932
N-[2-(2-butoxyethyl)-4-methylpentyl]cyclopropanamine
CID 55082814
N-[2-ethyl-4-(3-methylbutoxy)butyl]cyclopropanamine
CID 62514503

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-2-ethyl-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 4-butoxy-2-ethyl-N-(2-methylpropyl)butan-1-amine (CID 62514326) is 4-butoxy-2-ethyl-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 4-butoxy-2-ethyl-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 4-butoxy-2-ethyl-N-(2-methylpropyl)butan-1-amine is CCCCOCCC(CC)CNCC(C)C.
What is the InChIKey of 4-butoxy-2-ethyl-N-(2-methylpropyl)butan-1-amine?
The InChIKey is KBJCRWHQJAHZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-5-7-9-16-10-8-14(6-2)12-15-11-13(3)4/h13-15H,5-12H2,1-4H3.
What are the key properties of 4-butoxy-2-ethyl-N-(2-methylpropyl)butan-1-amine?
4-butoxy-2-ethyl-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-butoxy-2-ethyl-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 62514326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).