N-(3-methoxypropyl)-N-propylbutan-1-amine

C11H25NO — CID 148527090

IUPACN-(3-methoxypropyl)-N-propylbutan-1-amine
SMILESCCCCN(CCC)CCCOC
InChIInChI=1S/C11H25NO/c1-4-6-9-12(8-5-2)10-7-11-13-3/h4-11H2,1-3H3
InChIKeyMPNZKYOGLYHOFO-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.54
Rot. Bonds9

About N-(3-methoxypropyl)-N-propylbutan-1-amine

N-(3-methoxypropyl)-N-propylbutan-1-amine (PubChem CID 148527090) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is N-(3-methoxypropyl)-N-propylbutan-1-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-N-propylbutan-1-amine
PubChem CID148527090
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC NameN-(3-methoxypropyl)-N-propylbutan-1-amine
SMILESCCCCN(CCC)CCCOC
InChIInChI=1S/C11H25NO/c1-4-6-9-12(8-5-2)10-7-11-13-3/h4-11H2,1-3H3
InChIKeyMPNZKYOGLYHOFO-UHFFFAOYSA-N
XLogP2.54
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.54
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

N,N-dipropylbutan-1-amine;hydrofluoride
CID 19783533
N-(methoxymethyl)-N-propylbutan-1-amine
CID 87396533
N,N-diethyl-3-methoxypropan-1-amine;ethane
CID 142226095
N-dodecyl-N-(2-methoxyethyl)dodecan-1-amine
CID 167224233
N-(2-methoxyethyl)-N-nonylnonan-1-amine
CID 6426107
N-(3-butoxypropyl)-N-butylbutan-1-amine
CID 152720768
N-(2-chloroethyl)-N-[3-(2-methoxyethoxy)propyl]butan-1-amine
CID 103412998
N'-[3-(2-methoxyethoxy)propyl]-N'-propylethane-1,2-diamine
CID 103409202
N-ethyl-3-methoxy-N-(2-methoxyethyl)propan-1-amine
CID 143003406
3-[2-cyanoethyl(3-methoxypropyl)amino]propanenitrile
CID 22497852
N',N'-dibutyl-N-(2-methoxyethyl)butane-1,4-diamine
CID 62569487
5-[hexyl(6-methoxyhexyl)amino]pentan-1-ol
CID 145304941

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-N-propylbutan-1-amine?
The IUPAC name of N-(3-methoxypropyl)-N-propylbutan-1-amine (CID 148527090) is N-(3-methoxypropyl)-N-propylbutan-1-amine.
What is the SMILES notation for N-(3-methoxypropyl)-N-propylbutan-1-amine?
The canonical SMILES for N-(3-methoxypropyl)-N-propylbutan-1-amine is CCCCN(CCC)CCCOC.
What is the InChIKey of N-(3-methoxypropyl)-N-propylbutan-1-amine?
The InChIKey is MPNZKYOGLYHOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-4-6-9-12(8-5-2)10-7-11-13-3/h4-11H2,1-3H3.
What are the key properties of N-(3-methoxypropyl)-N-propylbutan-1-amine?
N-(3-methoxypropyl)-N-propylbutan-1-amine has a molecular weight of 187.33 g/mol, XLogP of 2.54, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-N-propylbutan-1-amine is sourced from PubChem (CID 148527090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).