N-cyclopropyl-N'-methyl-2-methylidene-N'-[(1-methylpyrrolidin-2-yl)methyl]propane-1,3-diamine

C14H27N3 — CID 103070924

IUPACN-cyclopropyl-N'-methyl-2-methylidene-N'-[(1-methylpyrrolidin-2-yl)methyl]propane-1,3-diamine
SMILESC=C(CNC1CC1)CN(C)CC1CCCN1C
InChIInChI=1S/C14H27N3/c1-12(9-15-13-6-7-13)10-16(2)11-14-5-4-8-17(14)3/h13-15H,1,4-11H2,2-3H3
InChIKeyLJLKOOZWJAZZTR-UHFFFAOYSA-N
MW237.39 g/mol
LogP1.32
Rot. Bonds7

About N-cyclopropyl-N'-methyl-2-methylidene-N'-[(1-methylpyrrolidin-2-yl)methyl]propane-1,3-diamine

N-cyclopropyl-N'-methyl-2-methylidene-N'-[(1-methylpyrrolidin-2-yl)methyl]propane-1,3-diamine (PubChem CID 103070924) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is N-cyclopropyl-N'-methyl-2-methylidene-N'-[(1-methylpyrrolidin-2-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N'-methyl-2-methylidene-N'-[(1-methylpyrrolidin-2-yl)methyl]propane-1,3-diamine
PubChem CID103070924
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC NameN-cyclopropyl-N'-methyl-2-methylidene-N'-[(1-methylpyrrolidin-2-yl)methyl]propane-1,3-diamine
SMILESC=C(CNC1CC1)CN(C)CC1CCCN1C
InChIInChI=1S/C14H27N3/c1-12(9-15-13-6-7-13)10-16(2)11-14-5-4-8-17(14)3/h13-15H,1,4-11H2,2-3H3
InChIKeyLJLKOOZWJAZZTR-UHFFFAOYSA-N
XLogP1.32
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R)-N,1-dibutyl-2-methyl-4-methylidenepyrrolidin-3-amine
CID 10513351
N-methyl-1-(1-prop-2-enylpyrrolidin-2-yl)methanamine
CID 62384356
N-ethyl-N-(3-methylbut-2-enyl)pyrrolidin-3-amine
CID 63300406
3-Methyl-1-pyrrolidin-3-yl-2,5-dihydropyrrole
CID 89425857
4-methylidene-N-propylpyrrolidin-3-amine
CID 91431232
N-(2-methylidenecyclopropyl)pyrrolidin-3-amine
CID 91547462
N,N-dimethylpyrrolidin-3-amine;ethane;2-methylprop-1-ene
CID 144503585
ethane;N-methyl-N-[2-(4-methylidenepyrrolidin-2-yl)ethyl]cyclopropanamine
CID 168883273
ethane;N-methyl-N-[(3-methylidenepyrrolidin-2-yl)methyl]cyclopentanamine
CID 168883420
N-[(4-methylidenepyrrolidin-2-yl)methyl]ethanamine
CID 169861110
N-(2-methylprop-2-enyl)-N-(2-pyrrolidin-2-ylethyl)cyclopropanamine
CID 169862812
2-methyl-N-(1-methylcyclopropyl)-1-propan-2-ylpyrrolidin-3-amine
CID 172205627

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-methyl-2-methylidene-N'-[(1-methylpyrrolidin-2-yl)methyl]propane-1,3-diamine?
The IUPAC name of N-cyclopropyl-N'-methyl-2-methylidene-N'-[(1-methylpyrrolidin-2-yl)methyl]propane-1,3-diamine (CID 103070924) is N-cyclopropyl-N'-methyl-2-methylidene-N'-[(1-methylpyrrolidin-2-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for N-cyclopropyl-N'-methyl-2-methylidene-N'-[(1-methylpyrrolidin-2-yl)methyl]propane-1,3-diamine?
The canonical SMILES for N-cyclopropyl-N'-methyl-2-methylidene-N'-[(1-methylpyrrolidin-2-yl)methyl]propane-1,3-diamine is C=C(CNC1CC1)CN(C)CC1CCCN1C.
What is the InChIKey of N-cyclopropyl-N'-methyl-2-methylidene-N'-[(1-methylpyrrolidin-2-yl)methyl]propane-1,3-diamine?
The InChIKey is LJLKOOZWJAZZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-12(9-15-13-6-7-13)10-16(2)11-14-5-4-8-17(14)3/h13-15H,1,4-11H2,2-3H3.
What are the key properties of N-cyclopropyl-N'-methyl-2-methylidene-N'-[(1-methylpyrrolidin-2-yl)methyl]propane-1,3-diamine?
N-cyclopropyl-N'-methyl-2-methylidene-N'-[(1-methylpyrrolidin-2-yl)methyl]propane-1,3-diamine has a molecular weight of 237.39 g/mol, XLogP of 1.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-methyl-2-methylidene-N'-[(1-methylpyrrolidin-2-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 103070924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).