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

C11H26N4 — CID 70658060

IUPACN'-[[2-[(3-aminopropylamino)methyl]cyclopropyl]methyl]propane-1,3-diamine
SMILESNCCCNCC1CC1CNCCCN
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
InChIKeyWAVQSPNWUQHRKQ-UHFFFAOYSA-N
MW214.36 g/mol
LogP-0.50
Rot. Bonds10

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

N'-[[2-[(3-aminopropylamino)methyl]cyclopropyl]methyl]propane-1,3-diamine (PubChem CID 70658060) has the molecular formula C11H26N4 and a molecular weight of 214.36 g/mol. Its IUPAC name is N'-[[2-[(3-aminopropylamino)methyl]cyclopropyl]methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[[2-[(3-aminopropylamino)methyl]cyclopropyl]methyl]propane-1,3-diamine
PubChem CID70658060
Molecular FormulaC11H26N4
Molecular Weight214.36 g/mol
Exact Mass214.22
IUPAC NameN'-[[2-[(3-aminopropylamino)methyl]cyclopropyl]methyl]propane-1,3-diamine
SMILESNCCCNCC1CC1CNCCCN
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
InChIKeyWAVQSPNWUQHRKQ-UHFFFAOYSA-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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Related Compounds

N'-[[(1S,2R)-2-[(3-aminopropylamino)methyl]cyclopropyl]methyl]propane-1,3-diamine
CID 70805739
N'-[[2-[[4-(ethylamino)butylamino]methyl]cyclopropyl]methyl]butane-1,4-diamine
CID 23590154
N-ethyl-N'-[[(1R,2R)-2-[[4-[4-[[(1R,2R)-2-[[4-[4-[[(1R,2R)-2-[[4-(ethylamino)butylamino]methyl]cyclopropyl]methylamino]butylamino]butylamino]methyl]cyclopropyl]methylamino]butylamino]butylamino]methyl]cyclopropyl]methyl]butane-1,4-diamine
CID 11073198
N'-[3-[3-[3-[3-[3-[3-(3-aminopropylamino)propylamino]propylamino]propylamino]propylamino]propylamino]propyl]propane-1,3-diamine
CID 22916506
N-ethyl-N'-[[2-[(heptylamino)methyl]cyclopropyl]methyl]butane-1,4-diamine
CID 71166362
N'-[[(1S,2S)-2-[[4-(ethylamino)butylamino]methyl]cyclopropyl]methyl]-N-methylbutane-1,4-diamine
CID 71064547
N'-[[(2R,4S)-4-(3-aminopropylamino)pyrrolidin-2-yl]methyl]propane-1,3-diamine
CID 10847025
N-methyl-N'-[[(2S)-2-[[4-(pentylamino)butylamino]methyl]cyclopropyl]methyl]butane-1,4-diamine
CID 145475457
N'-[[2-[[4-(decylamino)butylamino]methyl]cyclopropyl]methyl]-N-ethylbutane-1,4-diamine
CID 69170913
N'-(2-aminoethyl)-N-(3-aminopropyl)butane-1,4-diamine
CID 118361903
N'-(3-(15N)azanylpropyl)(1,4-13C2)butane-1,4-di(15N2)amine
CID 10845260
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine
CID 23206687

Frequently Asked Questions

What is the IUPAC name of N'-[[2-[(3-aminopropylamino)methyl]cyclopropyl]methyl]propane-1,3-diamine?
The IUPAC name of N'-[[2-[(3-aminopropylamino)methyl]cyclopropyl]methyl]propane-1,3-diamine (CID 70658060) is N'-[[2-[(3-aminopropylamino)methyl]cyclopropyl]methyl]propane-1,3-diamine.
What is the SMILES notation for N'-[[2-[(3-aminopropylamino)methyl]cyclopropyl]methyl]propane-1,3-diamine?
The canonical SMILES for N'-[[2-[(3-aminopropylamino)methyl]cyclopropyl]methyl]propane-1,3-diamine is NCCCNCC1CC1CNCCCN.
What is the InChIKey of N'-[[2-[(3-aminopropylamino)methyl]cyclopropyl]methyl]propane-1,3-diamine?
The InChIKey is WAVQSPNWUQHRKQ-UHFFFAOYSA-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.
What are the key properties of N'-[[2-[(3-aminopropylamino)methyl]cyclopropyl]methyl]propane-1,3-diamine?
N'-[[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'-[[2-[(3-aminopropylamino)methyl]cyclopropyl]methyl]propane-1,3-diamine is sourced from PubChem (CID 70658060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).