N'-[4-(1-aminocyclopropyl)-1-methylpyrrolidin-2-yl]-N-methylpropane-1,3-diamine

C12H26N4 — CID 130337632

IUPACN'-[4-(1-aminocyclopropyl)-1-methylpyrrolidin-2-yl]-N-methylpropane-1,3-diamine
SMILESCNCCCNC1CC(C2(N)CC2)CN1C
InChIInChI=1S/C12H26N4/c1-14-6-3-7-15-11-8-10(9-16(11)2)12(13)4-5-12/h10-11,14-15H,3-9,13H2,1-2H3
InChIKeyPGWHQXVLKKRFKL-UHFFFAOYSA-N
MW226.37 g/mol
LogP-0.05
Rot. Bonds6

About N'-[4-(1-aminocyclopropyl)-1-methylpyrrolidin-2-yl]-N-methylpropane-1,3-diamine

N'-[4-(1-aminocyclopropyl)-1-methylpyrrolidin-2-yl]-N-methylpropane-1,3-diamine (PubChem CID 130337632) has the molecular formula C12H26N4 and a molecular weight of 226.37 g/mol. Its IUPAC name is N'-[4-(1-aminocyclopropyl)-1-methylpyrrolidin-2-yl]-N-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[4-(1-aminocyclopropyl)-1-methylpyrrolidin-2-yl]-N-methylpropane-1,3-diamine
PubChem CID130337632
Molecular FormulaC12H26N4
Molecular Weight226.37 g/mol
Exact Mass226.22
IUPAC NameN'-[4-(1-aminocyclopropyl)-1-methylpyrrolidin-2-yl]-N-methylpropane-1,3-diamine
SMILESCNCCCNC1CC(C2(N)CC2)CN1C
InChIInChI=1S/C12H26N4/c1-14-6-3-7-15-11-8-10(9-16(11)2)12(13)4-5-12/h10-11,14-15H,3-9,13H2,1-2H3
InChIKeyPGWHQXVLKKRFKL-UHFFFAOYSA-N
XLogP-0.05
TPSA53.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.37
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[4-(1-aminocyclopropyl)-1-methylpyrrolidin-2-yl]-N-methylpropane-1,3-diamine?
The IUPAC name of N'-[4-(1-aminocyclopropyl)-1-methylpyrrolidin-2-yl]-N-methylpropane-1,3-diamine (CID 130337632) is N'-[4-(1-aminocyclopropyl)-1-methylpyrrolidin-2-yl]-N-methylpropane-1,3-diamine.
What is the SMILES notation for N'-[4-(1-aminocyclopropyl)-1-methylpyrrolidin-2-yl]-N-methylpropane-1,3-diamine?
The canonical SMILES for N'-[4-(1-aminocyclopropyl)-1-methylpyrrolidin-2-yl]-N-methylpropane-1,3-diamine is CNCCCNC1CC(C2(N)CC2)CN1C.
What is the InChIKey of N'-[4-(1-aminocyclopropyl)-1-methylpyrrolidin-2-yl]-N-methylpropane-1,3-diamine?
The InChIKey is PGWHQXVLKKRFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4/c1-14-6-3-7-15-11-8-10(9-16(11)2)12(13)4-5-12/h10-11,14-15H,3-9,13H2,1-2H3.
What are the key properties of N'-[4-(1-aminocyclopropyl)-1-methylpyrrolidin-2-yl]-N-methylpropane-1,3-diamine?
N'-[4-(1-aminocyclopropyl)-1-methylpyrrolidin-2-yl]-N-methylpropane-1,3-diamine has a molecular weight of 226.37 g/mol, XLogP of -0.05, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(1-aminocyclopropyl)-1-methylpyrrolidin-2-yl]-N-methylpropane-1,3-diamine is sourced from PubChem (CID 130337632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).