N-[1-(4-oxidomorpholin-4-ium-2-yl)propyl]pentan-1-amine

C12H26N2O2 — CID 87111461

IUPACN-[1-(4-oxidomorpholin-4-ium-2-yl)propyl]pentan-1-amine
SMILESCCCCCNC(CC)C1C[NH+]([O-])CCO1
InChIInChI=1S/C12H26N2O2/c1-3-5-6-7-13-11(4-2)12-10-14(15)8-9-16-12/h11-14H,3-10H2,1-2H3
InChIKeyKLUFBNWIPJOVEN-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.33
Rot. Bonds7

About N-[1-(4-oxidomorpholin-4-ium-2-yl)propyl]pentan-1-amine

N-[1-(4-oxidomorpholin-4-ium-2-yl)propyl]pentan-1-amine (PubChem CID 87111461) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is N-[1-(4-oxidomorpholin-4-ium-2-yl)propyl]pentan-1-amine.

Molecular Properties

Compound NameN-[1-(4-oxidomorpholin-4-ium-2-yl)propyl]pentan-1-amine
PubChem CID87111461
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC NameN-[1-(4-oxidomorpholin-4-ium-2-yl)propyl]pentan-1-amine
SMILESCCCCCNC(CC)C1C[NH+]([O-])CCO1
InChIInChI=1S/C12H26N2O2/c1-3-5-6-7-13-11(4-2)12-10-14(15)8-9-16-12/h11-14H,3-10H2,1-2H3
InChIKeyKLUFBNWIPJOVEN-UHFFFAOYSA-N
XLogP0.33
TPSA48.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-morpholin-2-ylpropyl)octadecan-1-amine
CID 174448708
N-[1-(oxolan-3-yl)propyl]pentan-1-amine
CID 115705770
N-[1-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]tetradecan-1-amine
CID 141405749
1-(oxolan-2-yl)-N-propylnonan-1-amine
CID 65328476
1-(1,4-dioxan-2-yl)-N-propylundecan-1-amine
CID 65352894
N-(1-cyclopropylpropyl)hex-5-yn-1-amine
CID 103903633
N-pentylheptan-3-amine
CID 63944300
N-(1-cyclopropylethyl)dodecan-1-amine
CID 55195999
6-[1-(oxolan-3-yl)propylamino]hexan-1-ol
CID 115906779
1-(5-methyloxolan-2-yl)-N-propylpropan-1-amine
CID 114979569
1-cyclopropyl-N-propylhexan-1-amine
CID 62600983
N-tridecylpentadecan-3-amine
CID 88820168

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-oxidomorpholin-4-ium-2-yl)propyl]pentan-1-amine?
The IUPAC name of N-[1-(4-oxidomorpholin-4-ium-2-yl)propyl]pentan-1-amine (CID 87111461) is N-[1-(4-oxidomorpholin-4-ium-2-yl)propyl]pentan-1-amine.
What is the SMILES notation for N-[1-(4-oxidomorpholin-4-ium-2-yl)propyl]pentan-1-amine?
The canonical SMILES for N-[1-(4-oxidomorpholin-4-ium-2-yl)propyl]pentan-1-amine is CCCCCNC(CC)C1C[NH+]([O-])CCO1.
What is the InChIKey of N-[1-(4-oxidomorpholin-4-ium-2-yl)propyl]pentan-1-amine?
The InChIKey is KLUFBNWIPJOVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-3-5-6-7-13-11(4-2)12-10-14(15)8-9-16-12/h11-14H,3-10H2,1-2H3.
What are the key properties of N-[1-(4-oxidomorpholin-4-ium-2-yl)propyl]pentan-1-amine?
N-[1-(4-oxidomorpholin-4-ium-2-yl)propyl]pentan-1-amine has a molecular weight of 230.35 g/mol, XLogP of 0.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-oxidomorpholin-4-ium-2-yl)propyl]pentan-1-amine is sourced from PubChem (CID 87111461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).