N'-methyl-N'-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propane-1,3-diamine

C12H27N3 — CID 106040479

IUPACN'-methyl-N'-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propane-1,3-diamine
SMILESCC(C)N(C)CCCNCC1CCCN1
InChIInChI=1S/C12H27N3/c1-11(2)15(3)9-5-7-13-10-12-6-4-8-14-12/h11-14H,4-10H2,1-3H3
InChIKeyDTQLPZRNXDFBRX-UHFFFAOYSA-N
MW213.37 g/mol
LogP1.06
Rot. Bonds7

About N'-methyl-N'-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propane-1,3-diamine

N'-methyl-N'-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propane-1,3-diamine (PubChem CID 106040479) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is N'-methyl-N'-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-N'-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propane-1,3-diamine
PubChem CID106040479
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC NameN'-methyl-N'-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propane-1,3-diamine
SMILESCC(C)N(C)CCCNCC1CCCN1
InChIInChI=1S/C12H27N3/c1-11(2)15(3)9-5-7-13-10-12-6-4-8-14-12/h11-14H,4-10H2,1-3H3
InChIKeyDTQLPZRNXDFBRX-UHFFFAOYSA-N
XLogP1.06
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-methyl-N'-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-methyl-N'-propan-2-yl-N-(pyrrolidin-2-ylmethyl)ethane-1,2-diamine
CID 106638352
N-(cyclohexylmethyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 115581253
5-(pyrrolidin-2-ylmethylamino)pentan-1-ol
CID 107316712
5-methyl-N-(piperidin-2-ylmethyl)hexan-1-amine
CID 115325988
3-methylsulfonyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106638054
N-[2-[methyl(propan-2-yl)amino]ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119874434
3-(2-methoxyethoxy)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106636763
3-(piperidin-2-ylmethylamino)propan-1-ol
CID 106633028
N'-methyl-N-[(5-methyloxolan-2-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine
CID 106040718
4-methoxy-N-(piperidin-2-ylmethyl)butan-1-amine
CID 106633816
N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]propan-2-amine;molecular hydrogen
CID 177210581
2-(pyrrolidin-2-ylmethylamino)ethanesulfonamide
CID 106636953

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propane-1,3-diamine?
The IUPAC name of N'-methyl-N'-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propane-1,3-diamine (CID 106040479) is N'-methyl-N'-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N'-methyl-N'-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N'-methyl-N'-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propane-1,3-diamine is CC(C)N(C)CCCNCC1CCCN1.
What is the InChIKey of N'-methyl-N'-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propane-1,3-diamine?
The InChIKey is DTQLPZRNXDFBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-11(2)15(3)9-5-7-13-10-12-6-4-8-14-12/h11-14H,4-10H2,1-3H3.
What are the key properties of N'-methyl-N'-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propane-1,3-diamine?
N'-methyl-N'-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propane-1,3-diamine has a molecular weight of 213.37 g/mol, XLogP of 1.06, 7 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-2-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 106040479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).