3-methoxy-N-[(3-methoxypropylamino)-methyl-methylimino-λ5-phosphanyl]propan-1-amine

C10H26N3O2P — CID 176755562

IUPAC3-methoxy-N-[(3-methoxypropylamino)-methyl-methylimino-λ5-phosphanyl]propan-1-amine
SMILESCN=P(C)(NCCCOC)NCCCOC
InChIInChI=1S/C10H26N3O2P/c1-11-16(4,12-7-5-9-14-2)13-8-6-10-15-3/h12-13H,5-10H2,1-4H3
InChIKeyQHXGSAJEOVOBTO-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.53
Rot. Bonds10

About 3-methoxy-N-[(3-methoxypropylamino)-methyl-methylimino-λ5-phosphanyl]propan-1-amine

3-methoxy-N-[(3-methoxypropylamino)-methyl-methylimino-λ5-phosphanyl]propan-1-amine (PubChem CID 176755562) has the molecular formula C10H26N3O2P and a molecular weight of 251.31 g/mol. Its IUPAC name is 3-methoxy-N-[(3-methoxypropylamino)-methyl-methylimino-λ5-phosphanyl]propan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-[(3-methoxypropylamino)-methyl-methylimino-λ5-phosphanyl]propan-1-amine
PubChem CID176755562
Molecular FormulaC10H26N3O2P
Molecular Weight251.31 g/mol
Exact Mass251.18
IUPAC Name3-methoxy-N-[(3-methoxypropylamino)-methyl-methylimino-λ5-phosphanyl]propan-1-amine
SMILESCN=P(C)(NCCCOC)NCCCOC
InChIInChI=1S/C10H26N3O2P/c1-11-16(4,12-7-5-9-14-2)13-8-6-10-15-3/h12-13H,5-10H2,1-4H3
InChIKeyQHXGSAJEOVOBTO-UHFFFAOYSA-N
XLogP1.53
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[chloro(methoxy)phosphinothioyl]-3-methoxypropan-1-amine
CID 13343589
4-iodo-N-(3-methoxypropyl)butan-1-amine
CID 106844640
N-(3-methoxypropyl)-3-methylbutan-2-amine
CID 43205074
N-(2-methoxyethoxy-methyl-methylimino-λ5-phosphanyl)ethanamine
CID 20715326
1-(3-methoxypropyl)-2-methyl-3-(2-methylpropyl)guanidine
CID 110975003
N-(3-methoxypropylamino)hydroxylamine
CID 175123431
N-[bis(2-chloroethyl)amino-(2-chloroethoxy)phosphoryl]-3-methoxypropan-1-amine
CID 3060586
1-[2-(tert-butylamino)ethyl]-3-(3-methoxypropyl)-2-methylguanidine;hydroiodide
CID 111759102
N'-(3-methoxypropyl)-N-methylethane-1,2-diamine
CID 54808435
3-methoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]propan-1-amine
CID 104561644
methyl 7-methoxy-2-methylideneheptanoate
CID 20669689
(3Z)-N-(3-methoxypropyl)penta-1,3-dien-3-amine
CID 118181224

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(3-methoxypropylamino)-methyl-methylimino-λ5-phosphanyl]propan-1-amine?
The IUPAC name of 3-methoxy-N-[(3-methoxypropylamino)-methyl-methylimino-λ5-phosphanyl]propan-1-amine (CID 176755562) is 3-methoxy-N-[(3-methoxypropylamino)-methyl-methylimino-λ5-phosphanyl]propan-1-amine.
What is the SMILES notation for 3-methoxy-N-[(3-methoxypropylamino)-methyl-methylimino-λ5-phosphanyl]propan-1-amine?
The canonical SMILES for 3-methoxy-N-[(3-methoxypropylamino)-methyl-methylimino-λ5-phosphanyl]propan-1-amine is CN=P(C)(NCCCOC)NCCCOC.
What is the InChIKey of 3-methoxy-N-[(3-methoxypropylamino)-methyl-methylimino-λ5-phosphanyl]propan-1-amine?
The InChIKey is QHXGSAJEOVOBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H26N3O2P/c1-11-16(4,12-7-5-9-14-2)13-8-6-10-15-3/h12-13H,5-10H2,1-4H3.
What are the key properties of 3-methoxy-N-[(3-methoxypropylamino)-methyl-methylimino-λ5-phosphanyl]propan-1-amine?
3-methoxy-N-[(3-methoxypropylamino)-methyl-methylimino-λ5-phosphanyl]propan-1-amine has a molecular weight of 251.31 g/mol, XLogP of 1.53, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(3-methoxypropylamino)-methyl-methylimino-λ5-phosphanyl]propan-1-amine is sourced from PubChem (CID 176755562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).