3-butan-2-yloxy-N-propylpropan-1-amine

C10H23NO — CID 62453797

IUPAC3-butan-2-yloxy-N-propylpropan-1-amine
SMILESCCCNCCCOC(C)CC
InChIInChI=1S/C10H23NO/c1-4-7-11-8-6-9-12-10(3)5-2/h10-11H,4-9H2,1-3H3
InChIKeyCLYDKFFDYHBURC-UHFFFAOYSA-N
MW173.30 g/mol
LogP2.19
Rot. Bonds8

About 3-butan-2-yloxy-N-propylpropan-1-amine

3-butan-2-yloxy-N-propylpropan-1-amine (PubChem CID 62453797) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is 3-butan-2-yloxy-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-butan-2-yloxy-N-propylpropan-1-amine
PubChem CID62453797
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name3-butan-2-yloxy-N-propylpropan-1-amine
SMILESCCCNCCCOC(C)CC
InChIInChI=1S/C10H23NO/c1-4-7-11-8-6-9-12-10(3)5-2/h10-11H,4-9H2,1-3H3
InChIKeyCLYDKFFDYHBURC-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 52.19
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

N-(3-butan-2-yloxypropyl)-2-methylpropan-1-amine
CID 62453800
N-(2-butan-2-yloxyethyl)-3-ethoxypropan-1-amine
CID 62583430
4-(3-methylbutoxy)-N-propylpentan-1-amine
CID 62445161
4-(2-butoxyethoxy)-N-propylpentan-1-amine
CID 55078093
N-(2-butan-2-yloxyethyl)-4-ethoxybutan-1-amine
CID 62583063
4-pent-4-enoxy-N-propylpentan-1-amine
CID 79114922
4-ethoxy-N-propylpentan-1-amine
CID 62446191
3-[(2R)-butan-2-yl]oxypropan-1-ol
CID 5315839
3-butan-2-yloxypropan-1-amine
CID 54795719
N-(2-hexoxypropyl)butan-1-amine
CID 62599346
N-propyl-2-(4,4,4-trifluorobutoxy)propan-1-amine
CID 82792300
2-heptoxy-N-(3-methoxypropyl)propan-1-amine
CID 62597976

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yloxy-N-propylpropan-1-amine?
The IUPAC name of 3-butan-2-yloxy-N-propylpropan-1-amine (CID 62453797) is 3-butan-2-yloxy-N-propylpropan-1-amine.
What is the SMILES notation for 3-butan-2-yloxy-N-propylpropan-1-amine?
The canonical SMILES for 3-butan-2-yloxy-N-propylpropan-1-amine is CCCNCCCOC(C)CC.
What is the InChIKey of 3-butan-2-yloxy-N-propylpropan-1-amine?
The InChIKey is CLYDKFFDYHBURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-4-7-11-8-6-9-12-10(3)5-2/h10-11H,4-9H2,1-3H3.
What are the key properties of 3-butan-2-yloxy-N-propylpropan-1-amine?
3-butan-2-yloxy-N-propylpropan-1-amine has a molecular weight of 173.30 g/mol, XLogP of 2.19, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yloxy-N-propylpropan-1-amine is sourced from PubChem (CID 62453797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).