N,N-dimethyl-4-propoxybutan-2-amine

C9H21NO — CID 57318185

IUPACN,N-dimethyl-4-propoxybutan-2-amine
SMILESCCCOCCC(C)N(C)C
InChIInChI=1S/C9H21NO/c1-5-7-11-8-6-9(2)10(3)4/h9H,5-8H2,1-4H3
InChIKeyVVYKSYFLOPBGSZ-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.75
Rot. Bonds6

About N,N-dimethyl-4-propoxybutan-2-amine

N,N-dimethyl-4-propoxybutan-2-amine (PubChem CID 57318185) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is N,N-dimethyl-4-propoxybutan-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-propoxybutan-2-amine
PubChem CID57318185
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC NameN,N-dimethyl-4-propoxybutan-2-amine
SMILESCCCOCCC(C)N(C)C
InChIInChI=1S/C9H21NO/c1-5-7-11-8-6-9(2)10(3)4/h9H,5-8H2,1-4H3
InChIKeyVVYKSYFLOPBGSZ-UHFFFAOYSA-N
XLogP1.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-1-propoxypentane
CID 123388243
1,5-dipropoxy-3-(2-propoxyethyl)pentane
CID 58572257
3-ethoxy-1-propoxybutane
CID 89015567
N,N-dimethyl-4-phenylmethoxybutan-2-amine
CID 142063705
4-propoxybutan-2-ylhydrazine
CID 105282576
N-methyl-N-(2-propoxyethoxy)propan-2-amine
CID 149217443
4-[methyl(2-propoxyethyl)amino]butan-2-ol
CID 106456260
gallane;3-methyl-1-(3-methylbutoxy)butane
CID 174967258
4-chloro-3-ethyl-1-propoxypentane
CID 106455983
3-butoxy-1-propoxybutane
CID 57175368
ethane;propane;1-propoxypropane
CID 143757970
2-methyl-N-(2-methylpropyl)-4-propoxybutan-1-amine
CID 79568932

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-propoxybutan-2-amine?
The IUPAC name of N,N-dimethyl-4-propoxybutan-2-amine (CID 57318185) is N,N-dimethyl-4-propoxybutan-2-amine.
What is the SMILES notation for N,N-dimethyl-4-propoxybutan-2-amine?
The canonical SMILES for N,N-dimethyl-4-propoxybutan-2-amine is CCCOCCC(C)N(C)C.
What is the InChIKey of N,N-dimethyl-4-propoxybutan-2-amine?
The InChIKey is VVYKSYFLOPBGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-5-7-11-8-6-9(2)10(3)4/h9H,5-8H2,1-4H3.
What are the key properties of N,N-dimethyl-4-propoxybutan-2-amine?
N,N-dimethyl-4-propoxybutan-2-amine has a molecular weight of 159.27 g/mol, XLogP of 1.75, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-propoxybutan-2-amine is sourced from PubChem (CID 57318185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).