N,N-bis(2-ethoxyethyl)butan-1-amine

C12H27NO2 — CID 91213413

IUPACN,N-bis(2-ethoxyethyl)butan-1-amine
SMILESCCCCN(CCOCC)CCOCC
InChIInChI=1S/C12H27NO2/c1-4-7-8-13(9-11-14-5-2)10-12-15-6-3/h4-12H2,1-3H3
InChIKeyDMMQPELFMKFPBM-UHFFFAOYSA-N
MW217.35 g/mol
LogP2.16
Rot. Bonds11

About N,N-bis(2-ethoxyethyl)butan-1-amine

N,N-bis(2-ethoxyethyl)butan-1-amine (PubChem CID 91213413) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is N,N-bis(2-ethoxyethyl)butan-1-amine.

Molecular Properties

Compound NameN,N-bis(2-ethoxyethyl)butan-1-amine
PubChem CID91213413
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC NameN,N-bis(2-ethoxyethyl)butan-1-amine
SMILESCCCCN(CCOCC)CCOCC
InChIInChI=1S/C12H27NO2/c1-4-7-8-13(9-11-14-5-2)10-12-15-6-3/h4-12H2,1-3H3
InChIKeyDMMQPELFMKFPBM-UHFFFAOYSA-N
XLogP2.16
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-N-[2-[2-(diethylamino)ethoxy]ethyl]butan-1-amine
CID 19822695
N-butyl-N-(2-hexoxyethyl)butan-1-amine;hydrochloride
CID 131884842
2-[2-[2-[2-[butyl-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]ethanol
CID 134252023
9-[bis(2-ethoxyethyl)amino]nonane-1-thiol
CID 105344268
N,N-bis[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]butan-1-amine
CID 134252027
N-(3-butoxypropyl)-N-butylbutan-1-amine
CID 152720768
N'-(2-butoxyethyl)-N'-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]-N-methylhexane-1,6-diamine
CID 174152095
N-butyl-N-(2-ethoxyethyl)hydroxylamine
CID 88829562
2-[2-[2-[2-butoxyethyl-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]-N-methylethanamine
CID 174152104
N-propyl-N-(2-prop-2-ynoxyethyl)butan-1-amine
CID 88915185
2-[2-butoxyethyl(butyl)amino]ethanol
CID 62016788
ethane;1-ethoxybutane
CID 143206406

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-ethoxyethyl)butan-1-amine?
The IUPAC name of N,N-bis(2-ethoxyethyl)butan-1-amine (CID 91213413) is N,N-bis(2-ethoxyethyl)butan-1-amine.
What is the SMILES notation for N,N-bis(2-ethoxyethyl)butan-1-amine?
The canonical SMILES for N,N-bis(2-ethoxyethyl)butan-1-amine is CCCCN(CCOCC)CCOCC.
What is the InChIKey of N,N-bis(2-ethoxyethyl)butan-1-amine?
The InChIKey is DMMQPELFMKFPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-4-7-8-13(9-11-14-5-2)10-12-15-6-3/h4-12H2,1-3H3.
What are the key properties of N,N-bis(2-ethoxyethyl)butan-1-amine?
N,N-bis(2-ethoxyethyl)butan-1-amine has a molecular weight of 217.35 g/mol, XLogP of 2.16, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-ethoxyethyl)butan-1-amine is sourced from PubChem (CID 91213413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).