N'-methyl-N'-propan-2-yl-N-pyrrolidin-3-ylpropane-1,3-diamine

C11H25N3 — CID 106041004

IUPACN'-methyl-N'-propan-2-yl-N-pyrrolidin-3-ylpropane-1,3-diamine
SMILESCC(C)N(C)CCCNC1CCNC1
InChIInChI=1S/C11H25N3/c1-10(2)14(3)8-4-6-13-11-5-7-12-9-11/h10-13H,4-9H2,1-3H3
InChIKeyZINHTQXMNVEBFT-UHFFFAOYSA-N
MW199.34 g/mol
LogP0.67
Rot. Bonds6

About N'-methyl-N'-propan-2-yl-N-pyrrolidin-3-ylpropane-1,3-diamine

N'-methyl-N'-propan-2-yl-N-pyrrolidin-3-ylpropane-1,3-diamine (PubChem CID 106041004) has the molecular formula C11H25N3 and a molecular weight of 199.34 g/mol. Its IUPAC name is N'-methyl-N'-propan-2-yl-N-pyrrolidin-3-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-N'-propan-2-yl-N-pyrrolidin-3-ylpropane-1,3-diamine
PubChem CID106041004
Molecular FormulaC11H25N3
Molecular Weight199.34 g/mol
Exact Mass199.20
IUPAC NameN'-methyl-N'-propan-2-yl-N-pyrrolidin-3-ylpropane-1,3-diamine
SMILESCC(C)N(C)CCCNC1CCNC1
InChIInChI=1S/C11H25N3/c1-10(2)14(3)8-4-6-13-11-5-7-12-9-11/h10-13H,4-9H2,1-3H3
InChIKeyZINHTQXMNVEBFT-UHFFFAOYSA-N
XLogP0.67
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 50.67
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',N'-dimethyl-N-[(3S)-pyrrolidin-3-yl]propane-1,3-diamine;trihydrobromide
CID 66986857
N',N'-dimethyl-N-pyrrolidin-3-ylbutane-1,4-diamine
CID 79742043
(3S)-N-butylpyrrolidin-3-amine
CID 154470800
N'-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]-N'-propan-2-ylpropane-1,3-diamine
CID 103776874
N-(3-methylsulfonylpropyl)pyrrolidin-3-amine
CID 79747715
4-[4-[methyl(propan-2-yl)amino]butylamino]cyclohexan-1-ol
CID 106594550
N-(3-cyclopropylcyclohexyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 103776965
N-[3-[methyl(propan-2-yl)amino]propyl]piperidine-4-sulfonamide
CID 106049193
N-[2-(3-methylbutoxy)ethyl]pyrrolidin-3-amine
CID 79741223
N-(4-tert-butylcycloheptyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106040900
4-(cyclopropylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]butane-1-sulfonamide
CID 106095136
N-cyclopentyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 60850712

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-propan-2-yl-N-pyrrolidin-3-ylpropane-1,3-diamine?
The IUPAC name of N'-methyl-N'-propan-2-yl-N-pyrrolidin-3-ylpropane-1,3-diamine (CID 106041004) is N'-methyl-N'-propan-2-yl-N-pyrrolidin-3-ylpropane-1,3-diamine.
What is the SMILES notation for N'-methyl-N'-propan-2-yl-N-pyrrolidin-3-ylpropane-1,3-diamine?
The canonical SMILES for N'-methyl-N'-propan-2-yl-N-pyrrolidin-3-ylpropane-1,3-diamine is CC(C)N(C)CCCNC1CCNC1.
What is the InChIKey of N'-methyl-N'-propan-2-yl-N-pyrrolidin-3-ylpropane-1,3-diamine?
The InChIKey is ZINHTQXMNVEBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3/c1-10(2)14(3)8-4-6-13-11-5-7-12-9-11/h10-13H,4-9H2,1-3H3.
What are the key properties of N'-methyl-N'-propan-2-yl-N-pyrrolidin-3-ylpropane-1,3-diamine?
N'-methyl-N'-propan-2-yl-N-pyrrolidin-3-ylpropane-1,3-diamine has a molecular weight of 199.34 g/mol, XLogP of 0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-propan-2-yl-N-pyrrolidin-3-ylpropane-1,3-diamine is sourced from PubChem (CID 106041004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).