N-(3-butoxypropyl)-N-butylbutan-1-amine

C15H33NO — CID 152720768

IUPACN-(3-butoxypropyl)-N-butylbutan-1-amine
SMILESCCCCOCCCN(CCCC)CCCC
InChIInChI=1S/C15H33NO/c1-4-7-11-16(12-8-5-2)13-10-15-17-14-9-6-3/h4-15H2,1-3H3
InChIKeyZVONLKVMYQTZPK-UHFFFAOYSA-N
MW243.43 g/mol
LogP4.10
Rot. Bonds13

About N-(3-butoxypropyl)-N-butylbutan-1-amine

N-(3-butoxypropyl)-N-butylbutan-1-amine (PubChem CID 152720768) has the molecular formula C15H33NO and a molecular weight of 243.43 g/mol. Its IUPAC name is N-(3-butoxypropyl)-N-butylbutan-1-amine.

Molecular Properties

Compound NameN-(3-butoxypropyl)-N-butylbutan-1-amine
PubChem CID152720768
Molecular FormulaC15H33NO
Molecular Weight243.43 g/mol
Exact Mass243.26
IUPAC NameN-(3-butoxypropyl)-N-butylbutan-1-amine
SMILESCCCCOCCCN(CCCC)CCCC
InChIInChI=1S/C15H33NO/c1-4-7-11-16(12-8-5-2)13-10-15-17-14-9-6-3/h4-15H2,1-3H3
InChIKeyZVONLKVMYQTZPK-UHFFFAOYSA-N
XLogP4.10
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.43
LogP ≤ 54.10
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

2-[2-butoxyethyl(butyl)amino]ethanol
CID 62016788
N-butyl-N-(2-hexoxyethyl)butan-1-amine;hydrochloride
CID 131884842
N-butyl-N-[2-[2-(diethylamino)ethoxy]ethyl]butan-1-amine
CID 19822695
N-(2-chloroethyl)-N-[3-(2-methoxyethoxy)propyl]butan-1-amine
CID 103412998
2-[2-hydroxyethyl(3-undecoxypropyl)amino]ethanol
CID 71328174
3-[3-hydroxypropyl(3-octadecoxypropyl)amino]propan-1-ol
CID 14389695
N,N-bis(2-ethoxyethyl)butan-1-amine
CID 91213413
N,N-dibutylbutan-1-amine;trihydrate
CID 173345147
N,N-dibutylbutan-1-amine;tetrahydrate
CID 172865997
N,N,N',N'-tetrabutylethane-1,2-diamine
CID 5224972
N-(3-methoxypropyl)-N-propylbutan-1-amine
CID 148527090
2-[3-octadecoxypropyl(propyl)amino]ethanol
CID 157484985

Frequently Asked Questions

What is the IUPAC name of N-(3-butoxypropyl)-N-butylbutan-1-amine?
The IUPAC name of N-(3-butoxypropyl)-N-butylbutan-1-amine (CID 152720768) is N-(3-butoxypropyl)-N-butylbutan-1-amine.
What is the SMILES notation for N-(3-butoxypropyl)-N-butylbutan-1-amine?
The canonical SMILES for N-(3-butoxypropyl)-N-butylbutan-1-amine is CCCCOCCCN(CCCC)CCCC.
What is the InChIKey of N-(3-butoxypropyl)-N-butylbutan-1-amine?
The InChIKey is ZVONLKVMYQTZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO/c1-4-7-11-16(12-8-5-2)13-10-15-17-14-9-6-3/h4-15H2,1-3H3.
What are the key properties of N-(3-butoxypropyl)-N-butylbutan-1-amine?
N-(3-butoxypropyl)-N-butylbutan-1-amine has a molecular weight of 243.43 g/mol, XLogP of 4.10, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxypropyl)-N-butylbutan-1-amine is sourced from PubChem (CID 152720768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).