N'-[[(1S,2R)-2-[(3-aminopropylamino)methyl]cyclopropyl]methyl]propane-1,3-diamine

C11H26N4 — CID 70805739

IUPACN'-[[(1S,2R)-2-[(3-aminopropylamino)methyl]cyclopropyl]methyl]propane-1,3-diamine
SMILESNCCCNC[C@@H]1C[C@@H]1CNCCCN
InChIInChI=1S/C11H26N4/c12-3-1-5-14-8-10-7-11(10)9-15-6-2-4-13/h10-11,14-15H,1-9,12-13H2/t10-,11+
InChIKeyWAVQSPNWUQHRKQ-PHIMTYICSA-N
MW214.36 g/mol
LogP-0.50
Rot. Bonds10

About N'-[[(1S,2R)-2-[(3-aminopropylamino)methyl]cyclopropyl]methyl]propane-1,3-diamine

N'-[[(1S,2R)-2-[(3-aminopropylamino)methyl]cyclopropyl]methyl]propane-1,3-diamine (PubChem CID 70805739) has the molecular formula C11H26N4 and a molecular weight of 214.36 g/mol. Its IUPAC name is N'-[[(1S,2R)-2-[(3-aminopropylamino)methyl]cyclopropyl]methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[[(1S,2R)-2-[(3-aminopropylamino)methyl]cyclopropyl]methyl]propane-1,3-diamine
PubChem CID70805739
Molecular FormulaC11H26N4
Molecular Weight214.36 g/mol
Exact Mass214.22
IUPAC NameN'-[[(1S,2R)-2-[(3-aminopropylamino)methyl]cyclopropyl]methyl]propane-1,3-diamine
SMILESNCCCNC[C@@H]1C[C@@H]1CNCCCN
InChIInChI=1S/C11H26N4/c12-3-1-5-14-8-10-7-11(10)9-15-6-2-4-13/h10-11,14-15H,1-9,12-13H2/t10-,11+
InChIKeyWAVQSPNWUQHRKQ-PHIMTYICSA-N
XLogP-0.50
TPSA76.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.36
LogP ≤ 5-0.50
H-Bond Donors ≤ 54
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'-[[(1S,2R)-2-[(3-aminopropylamino)methyl]cyclopropyl]methyl]propane-1,3-diamine?
The IUPAC name of N'-[[(1S,2R)-2-[(3-aminopropylamino)methyl]cyclopropyl]methyl]propane-1,3-diamine (CID 70805739) is N'-[[(1S,2R)-2-[(3-aminopropylamino)methyl]cyclopropyl]methyl]propane-1,3-diamine.
What is the SMILES notation for N'-[[(1S,2R)-2-[(3-aminopropylamino)methyl]cyclopropyl]methyl]propane-1,3-diamine?
The canonical SMILES for N'-[[(1S,2R)-2-[(3-aminopropylamino)methyl]cyclopropyl]methyl]propane-1,3-diamine is NCCCNC[C@@H]1C[C@@H]1CNCCCN.
What is the InChIKey of N'-[[(1S,2R)-2-[(3-aminopropylamino)methyl]cyclopropyl]methyl]propane-1,3-diamine?
The InChIKey is WAVQSPNWUQHRKQ-PHIMTYICSA-N. The full InChI is InChI=1S/C11H26N4/c12-3-1-5-14-8-10-7-11(10)9-15-6-2-4-13/h10-11,14-15H,1-9,12-13H2/t10-,11+.
What are the key properties of N'-[[(1S,2R)-2-[(3-aminopropylamino)methyl]cyclopropyl]methyl]propane-1,3-diamine?
N'-[[(1S,2R)-2-[(3-aminopropylamino)methyl]cyclopropyl]methyl]propane-1,3-diamine has a molecular weight of 214.36 g/mol, XLogP of -0.50, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[(1S,2R)-2-[(3-aminopropylamino)methyl]cyclopropyl]methyl]propane-1,3-diamine is sourced from PubChem (CID 70805739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).