N-butoxy-N-propan-2-ylpropan-1-amine

C10H23NO — CID 151187907

IUPACN-butoxy-N-propan-2-ylpropan-1-amine
SMILESCCCCON(CCC)C(C)C
InChIInChI=1S/C10H23NO/c1-5-7-9-12-11(8-6-2)10(3)4/h10H,5-9H2,1-4H3
InChIKeyNFRUDEWLQYBPFC-UHFFFAOYSA-N
MW173.30 g/mol
LogP2.84
Rot. Bonds7

About N-butoxy-N-propan-2-ylpropan-1-amine

N-butoxy-N-propan-2-ylpropan-1-amine (PubChem CID 151187907) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is N-butoxy-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-butoxy-N-propan-2-ylpropan-1-amine
PubChem CID151187907
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC NameN-butoxy-N-propan-2-ylpropan-1-amine
SMILESCCCCON(CCC)C(C)C
InChIInChI=1S/C10H23NO/c1-5-7-9-12-11(8-6-2)10(3)4/h10H,5-9H2,1-4H3
InChIKeyNFRUDEWLQYBPFC-UHFFFAOYSA-N
XLogP2.84
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-butoxy-N-propylhydroxylamine
CID 88795262
2-[pentoxy(propyl)amino]-3-sulfanylpropanoic acid
CID 174695336
N-butoxy-N-methylmethanamine
CID 19988586
N-butoxy-N,2-dimethylpropan-1-amine
CID 166738532
1-propan-2-yloxybutane;zirconium
CID 174617524
N-methyl-N-propan-2-yltridecan-1-amine
CID 88970420
N,N-di(propan-2-yl)butan-1-amine
CID 11062646
1,2-dipropyl-1-tridecoxyhydrazine
CID 88695214
1-decoxy-1,2-dipropylhydrazine
CID 87743617
2-[2-ethoxyethoxy(propan-2-yl)amino]ethyl carbamate
CID 88718591
N,N-didecoxybutan-1-amine
CID 57054979
ethane;N-methyl-N-propan-2-yldodecan-1-amine
CID 142585410

Frequently Asked Questions

What is the IUPAC name of N-butoxy-N-propan-2-ylpropan-1-amine?
The IUPAC name of N-butoxy-N-propan-2-ylpropan-1-amine (CID 151187907) is N-butoxy-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for N-butoxy-N-propan-2-ylpropan-1-amine?
The canonical SMILES for N-butoxy-N-propan-2-ylpropan-1-amine is CCCCON(CCC)C(C)C.
What is the InChIKey of N-butoxy-N-propan-2-ylpropan-1-amine?
The InChIKey is NFRUDEWLQYBPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-5-7-9-12-11(8-6-2)10(3)4/h10H,5-9H2,1-4H3.
What are the key properties of N-butoxy-N-propan-2-ylpropan-1-amine?
N-butoxy-N-propan-2-ylpropan-1-amine has a molecular weight of 173.30 g/mol, XLogP of 2.84, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butoxy-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 151187907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).