3-[2-(iminomethylideneamino)pyrrolidin-1-yl]-N,N-dimethylpropan-1-amine;hydrochloride

C10H21ClN4 — CID 87173008

IUPAC3-[2-(iminomethylideneamino)pyrrolidin-1-yl]-N,N-dimethylpropan-1-amine;hydrochloride
SMILESCN(C)CCCN1CCCC1N=C=N.Cl
InChIInChI=1S/C10H20N4.ClH/c1-13(2)6-4-8-14-7-3-5-10(14)12-9-11;/h10-11H,3-8H2,1-2H3;1H
InChIKeySIOMDRMUBHBJBA-UHFFFAOYSA-N
MW232.76 g/mol
LogP1.53
Rot. Bonds5

About 3-[2-(iminomethylideneamino)pyrrolidin-1-yl]-N,N-dimethylpropan-1-amine;hydrochloride

3-[2-(iminomethylideneamino)pyrrolidin-1-yl]-N,N-dimethylpropan-1-amine;hydrochloride (PubChem CID 87173008) has the molecular formula C10H21ClN4 and a molecular weight of 232.76 g/mol. Its IUPAC name is 3-[2-(iminomethylideneamino)pyrrolidin-1-yl]-N,N-dimethylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-[2-(iminomethylideneamino)pyrrolidin-1-yl]-N,N-dimethylpropan-1-amine;hydrochloride
PubChem CID87173008
Molecular FormulaC10H21ClN4
Molecular Weight232.76 g/mol
Exact Mass232.15
IUPAC Name3-[2-(iminomethylideneamino)pyrrolidin-1-yl]-N,N-dimethylpropan-1-amine;hydrochloride
SMILESCN(C)CCCN1CCCC1N=C=N.Cl
InChIInChI=1S/C10H20N4.ClH/c1-13(2)6-4-8-14-7-3-5-10(14)12-9-11;/h10-11H,3-8H2,1-2H3;1H
InChIKeySIOMDRMUBHBJBA-UHFFFAOYSA-N
XLogP1.53
TPSA42.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.76
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-[2-(3-bromopropyl)pyrrolidin-1-yl]-N,N-dimethylpropan-1-amine
CID 114526692
N,N-dimethyl-3-(2-methyl-1,5-diazocan-1-yl)propan-1-amine
CID 117014700
[1-[3-(dimethylamino)propyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 114525980
1-[1-[3-(dimethylamino)propyl]azepan-2-yl]propan-2-one
CID 114525397
3-(aziridin-1-yl)-N,N-dimethylpropan-1-amine
CID 154296752
N'-[(2S)-1-ethylpyrrolidin-2-yl]-N'-methylpropane-1,3-diamine
CID 94063622
N'-[(2R)-1-ethylpyrrolidin-2-yl]-N'-methylpropane-1,3-diamine
CID 94063621
[(2R)-1-[2-(dimethylamino)ethyl]pyrrolidin-2-yl]methanol
CID 66262417
1-[2-(dimethylamino)ethyl]pyrrolidine-2-carbaldehyde
CID 102567892
N-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 65322248
1-[3-(dimethylamino)propyl]piperidin-4-ol
CID 82075263
3-[3-(2-aminoethyl)-2,2-dimethylpyrrolidin-1-yl]-N,N-dimethylpropan-1-amine
CID 117017545

Frequently Asked Questions

What is the IUPAC name of 3-[2-(iminomethylideneamino)pyrrolidin-1-yl]-N,N-dimethylpropan-1-amine;hydrochloride?
The IUPAC name of 3-[2-(iminomethylideneamino)pyrrolidin-1-yl]-N,N-dimethylpropan-1-amine;hydrochloride (CID 87173008) is 3-[2-(iminomethylideneamino)pyrrolidin-1-yl]-N,N-dimethylpropan-1-amine;hydrochloride.
What is the SMILES notation for 3-[2-(iminomethylideneamino)pyrrolidin-1-yl]-N,N-dimethylpropan-1-amine;hydrochloride?
The canonical SMILES for 3-[2-(iminomethylideneamino)pyrrolidin-1-yl]-N,N-dimethylpropan-1-amine;hydrochloride is CN(C)CCCN1CCCC1N=C=N.Cl.
What is the InChIKey of 3-[2-(iminomethylideneamino)pyrrolidin-1-yl]-N,N-dimethylpropan-1-amine;hydrochloride?
The InChIKey is SIOMDRMUBHBJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4.ClH/c1-13(2)6-4-8-14-7-3-5-10(14)12-9-11;/h10-11H,3-8H2,1-2H3;1H.
What are the key properties of 3-[2-(iminomethylideneamino)pyrrolidin-1-yl]-N,N-dimethylpropan-1-amine;hydrochloride?
3-[2-(iminomethylideneamino)pyrrolidin-1-yl]-N,N-dimethylpropan-1-amine;hydrochloride has a molecular weight of 232.76 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(iminomethylideneamino)pyrrolidin-1-yl]-N,N-dimethylpropan-1-amine;hydrochloride is sourced from PubChem (CID 87173008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).