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

C10H23NO — CID 62453626

IUPAC2-butan-2-yloxy-N-propylpropan-1-amine
SMILESCCCNCC(C)OC(C)CC
InChIInChI=1S/C10H23NO/c1-5-7-11-8-10(4)12-9(3)6-2/h9-11H,5-8H2,1-4H3
InChIKeyWKGGBPRZWFPYHT-UHFFFAOYSA-N
MW173.30 g/mol
LogP2.19
Rot. Bonds7

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

2-butan-2-yloxy-N-propylpropan-1-amine (PubChem CID 62453626) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is 2-butan-2-yloxy-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-butan-2-yloxy-N-propylpropan-1-amine
PubChem CID62453626
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name2-butan-2-yloxy-N-propylpropan-1-amine
SMILESCCCNCC(C)OC(C)CC
InChIInChI=1S/C10H23NO/c1-5-7-11-8-10(4)12-9(3)6-2/h9-11H,5-8H2,1-4H3
InChIKeyWKGGBPRZWFPYHT-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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-(2-butan-2-yloxypropyl)-2-methylpropan-1-amine
CID 62453630
(2S)-2-ethoxy-N-propylpropan-1-amine
CID 176570323
azane;2-butan-2-yloxybutane
CID 87187028
2-methyl-N-propylpropan-1-amine
CID 520943
N-[2-(1,1,1-trifluoropropan-2-yloxy)propyl]pentan-1-amine
CID 66276205
(2S)-2-iodo-N-propylpropan-1-amine
CID 139491704
2-butan-2-yloxybutane;ethanol
CID 88614162
N-[2-(3-bromophenyl)-2-butan-2-yloxyethyl]propan-1-amine
CID 55036561
2-tert-butyl-3-methyl-N-propylpentan-1-amine
CID 83138330
N-(2-butan-2-yloxypropyl)cyclopropanamine
CID 62453628
3-butan-2-yloxy-N-propylpropan-1-amine
CID 62453797
2-methoxy-N-propylbutan-1-amine
CID 62446369

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yloxy-N-propylpropan-1-amine?
The IUPAC name of 2-butan-2-yloxy-N-propylpropan-1-amine (CID 62453626) is 2-butan-2-yloxy-N-propylpropan-1-amine.
What is the SMILES notation for 2-butan-2-yloxy-N-propylpropan-1-amine?
The canonical SMILES for 2-butan-2-yloxy-N-propylpropan-1-amine is CCCNCC(C)OC(C)CC.
What is the InChIKey of 2-butan-2-yloxy-N-propylpropan-1-amine?
The InChIKey is WKGGBPRZWFPYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-5-7-11-8-10(4)12-9(3)6-2/h9-11H,5-8H2,1-4H3.
What are the key properties of 2-butan-2-yloxy-N-propylpropan-1-amine?
2-butan-2-yloxy-N-propylpropan-1-amine has a molecular weight of 173.30 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yloxy-N-propylpropan-1-amine is sourced from PubChem (CID 62453626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).