N-ethoxy-2-methylpentan-1-amine

C8H19NO — CID 64975004

IUPACN-ethoxy-2-methylpentan-1-amine
SMILESCCCC(C)CNOCC
InChIInChI=1S/C8H19NO/c1-4-6-8(3)7-9-10-5-2/h8-9H,4-7H2,1-3H3
InChIKeyANZKXNDWDUPXHP-UHFFFAOYSA-N
MW145.25 g/mol
LogP1.96
Rot. Bonds6

About N-ethoxy-2-methylpentan-1-amine

N-ethoxy-2-methylpentan-1-amine (PubChem CID 64975004) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is N-ethoxy-2-methylpentan-1-amine.

Molecular Properties

Compound NameN-ethoxy-2-methylpentan-1-amine
PubChem CID64975004
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC NameN-ethoxy-2-methylpentan-1-amine
SMILESCCCC(C)CNOCC
InChIInChI=1S/C8H19NO/c1-4-6-8(3)7-9-10-5-2/h8-9H,4-7H2,1-3H3
InChIKeyANZKXNDWDUPXHP-UHFFFAOYSA-N
XLogP1.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 51.96
H-Bond Donors ≤ 51
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

2-methyl-N-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 82712606
(2S)-2-methyl-N-propan-2-ylpentan-1-amine
CID 28610224
4-methylheptane
CID 91413347
4-methylheptane
CID 11512
N-ethoxy-2-nitropropan-1-amine
CID 19042189
1-(2-methylpentylamino)ethanol
CID 88836184
2-methyl-N-pentan-3-ylpentan-1-amine
CID 43204323
N-tert-butyl-2-methylpentan-1-amine
CID 43200440
4-methylheptane;propane
CID 142171269
2-methyl-N-(3-methylpentan-3-yl)pentan-1-amine
CID 103922999
3-methyl-4-(2-methylpentylamino)butan-1-ol
CID 66092685
acetylene;4-methylheptane
CID 143164229

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-2-methylpentan-1-amine?
The IUPAC name of N-ethoxy-2-methylpentan-1-amine (CID 64975004) is N-ethoxy-2-methylpentan-1-amine.
What is the SMILES notation for N-ethoxy-2-methylpentan-1-amine?
The canonical SMILES for N-ethoxy-2-methylpentan-1-amine is CCCC(C)CNOCC.
What is the InChIKey of N-ethoxy-2-methylpentan-1-amine?
The InChIKey is ANZKXNDWDUPXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO/c1-4-6-8(3)7-9-10-5-2/h8-9H,4-7H2,1-3H3.
What are the key properties of N-ethoxy-2-methylpentan-1-amine?
N-ethoxy-2-methylpentan-1-amine has a molecular weight of 145.25 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-2-methylpentan-1-amine is sourced from PubChem (CID 64975004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).