(Z)-4-imino-3-pyrrolidin-3-ylpent-2-en-2-amine;molecular hydrogen

C9H21N3 — CID 153331309

IUPAC(Z)-4-imino-3-pyrrolidin-3-ylpent-2-en-2-amine;molecular hydrogen
SMILES[H]/N=C(C)/C(=C(/C)N)C1CCNC1.[H][H].[H][H]
InChIInChI=1S/C9H17N3.2H2/c1-6(10)9(7(2)11)8-3-4-12-5-8;;/h8,10,12H,3-5,11H2,1-2H3;2*1H/b9-7+,10-6+;;
InChIKeyJQUIHPBRFGMHDH-YGEHUGHFSA-N
MW171.29 g/mol
LogP1.36
Rot. Bonds2

About (Z)-4-imino-3-pyrrolidin-3-ylpent-2-en-2-amine;molecular hydrogen

(Z)-4-imino-3-pyrrolidin-3-ylpent-2-en-2-amine;molecular hydrogen (PubChem CID 153331309) has the molecular formula C9H21N3 and a molecular weight of 171.29 g/mol. Its IUPAC name is (Z)-4-imino-3-pyrrolidin-3-ylpent-2-en-2-amine;molecular hydrogen.

Molecular Properties

Compound Name(Z)-4-imino-3-pyrrolidin-3-ylpent-2-en-2-amine;molecular hydrogen
PubChem CID153331309
Molecular FormulaC9H21N3
Molecular Weight171.29 g/mol
Exact Mass171.17
IUPAC Name(Z)-4-imino-3-pyrrolidin-3-ylpent-2-en-2-amine;molecular hydrogen
SMILES[H]/N=C(C)/C(=C(/C)N)C1CCNC1.[H][H].[H][H]
InChIInChI=1S/C9H17N3.2H2/c1-6(10)9(7(2)11)8-3-4-12-5-8;;/h8,10,12H,3-5,11H2,1-2H3;2*1H/b9-7+,10-6+;;
InChIKeyJQUIHPBRFGMHDH-YGEHUGHFSA-N
XLogP1.36
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.29
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 129929861
4-(4,5-dimethyl-3H-pyrrol-2-yl)piperidine
CID 58578279
4-methyl-6-[[(3R)-pyrrolidin-3-yl]methyl]-2,3-dihydropyridin-2-amine
CID 89037011
4-methyl-N-[(1Z)-1-pyrrolidin-3-ylideneethyl]hexan-1-imine
CID 91367989
N-[(1Z)-3,4-dimethyl-1-pyrrolidin-2-ylidenepentyl]ethanimine
CID 123550456
4-ethylidene-N,5-dimethyl-5-propan-2-ylpyrrolidin-3-imine
CID 123614076
(E)-4-pyrrolidin-3-ylpent-3-en-2-imine
CID 123879311
4-(3-Methylhexan-2-ylidene)piperidin-3-imine
CID 123972348
N-methyl-1-(2-methyl-4,5,6,7-tetrahydro-3H-indol-4-yl)methanamine
CID 129015947
5-(N-methyl-C-propan-2-ylcarbonimidoyl)-1,2,3,6-tetrahydropyridin-4-amine
CID 134172196
(Z)-3-imino-1-(1-methylcyclopropyl)-2-pyrrolidin-3-ylprop-1-en-1-amine
CID 139358463

Frequently Asked Questions

What is the IUPAC name of (Z)-4-imino-3-pyrrolidin-3-ylpent-2-en-2-amine;molecular hydrogen?
The IUPAC name of (Z)-4-imino-3-pyrrolidin-3-ylpent-2-en-2-amine;molecular hydrogen (CID 153331309) is (Z)-4-imino-3-pyrrolidin-3-ylpent-2-en-2-amine;molecular hydrogen.
What is the SMILES notation for (Z)-4-imino-3-pyrrolidin-3-ylpent-2-en-2-amine;molecular hydrogen?
The canonical SMILES for (Z)-4-imino-3-pyrrolidin-3-ylpent-2-en-2-amine;molecular hydrogen is [H]/N=C(C)/C(=C(/C)N)C1CCNC1.[H][H].[H][H].
What is the InChIKey of (Z)-4-imino-3-pyrrolidin-3-ylpent-2-en-2-amine;molecular hydrogen?
The InChIKey is JQUIHPBRFGMHDH-YGEHUGHFSA-N. The full InChI is InChI=1S/C9H17N3.2H2/c1-6(10)9(7(2)11)8-3-4-12-5-8;;/h8,10,12H,3-5,11H2,1-2H3;2*1H/b9-7+,10-6+;;.
What are the key properties of (Z)-4-imino-3-pyrrolidin-3-ylpent-2-en-2-amine;molecular hydrogen?
(Z)-4-imino-3-pyrrolidin-3-ylpent-2-en-2-amine;molecular hydrogen has a molecular weight of 171.29 g/mol, XLogP of 1.36, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-imino-3-pyrrolidin-3-ylpent-2-en-2-amine;molecular hydrogen is sourced from PubChem (CID 153331309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).