(Z)-5-(1-methylpyrrolidin-3-yl)pent-3-en-1-amine

C10H20N2 — CID 117267401

IUPAC(Z)-5-(1-methylpyrrolidin-3-yl)pent-3-en-1-amine
SMILESCN1CCC(C/C=C\CCN)C1
InChIInChI=1S/C10H20N2/c1-12-8-6-10(9-12)5-3-2-4-7-11/h2-3,10H,4-9,11H2,1H3/b3-2-
InChIKeyYFFOKKNLILESOV-IHWYPQMZSA-N
MW168.28 g/mol
LogP1.23
Rot. Bonds4

About (Z)-5-(1-methylpyrrolidin-3-yl)pent-3-en-1-amine

(Z)-5-(1-methylpyrrolidin-3-yl)pent-3-en-1-amine (PubChem CID 117267401) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is (Z)-5-(1-methylpyrrolidin-3-yl)pent-3-en-1-amine.

Molecular Properties

Compound Name(Z)-5-(1-methylpyrrolidin-3-yl)pent-3-en-1-amine
PubChem CID117267401
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name(Z)-5-(1-methylpyrrolidin-3-yl)pent-3-en-1-amine
SMILESCN1CCC(C/C=C\CCN)C1
InChIInChI=1S/C10H20N2/c1-12-8-6-10(9-12)5-3-2-4-7-11/h2-3,10H,4-9,11H2,1H3/b3-2-
InChIKeyYFFOKKNLILESOV-IHWYPQMZSA-N
XLogP1.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-[(E)-8-(1-methylpiperidin-4-yl)oct-6-en-3-yl]piperazine
CID 170361831
4-[(E)-but-2-enyl]-1-methylpiperidine
CID 176646253
1-(1-methylpyrrolidin-3-yl)propan-2-amine
CID 71433430
3-methyl-4-(1-methylpiperidin-4-yl)butan-1-amine
CID 116924914
(Z)-5-(1-methylpiperidin-4-yl)pent-3-enoic acid
CID 117267490
3-ethyl-1-methylpyrrolidine;methane
CID 161184146
ethane;(1-methylpiperidin-4-yl)methanamine
CID 91043349
3-(cyclopropylmethyl)-1-methylpyrrolidine
CID 127006990
(Z)-4-(1-methylpiperidin-3-yl)but-2-ene-1-sulfonyl chloride
CID 117267784
6-ethyl-1,4-dimethyl-1,4-diazocane
CID 174327849
(3S)-3-(2,2-dimethylpropyl)-1-methylpyrrolidine
CID 131972870
(1-methylpyrrolidin-3-yl)methanesulfinamide
CID 154660434

Frequently Asked Questions

What is the IUPAC name of (Z)-5-(1-methylpyrrolidin-3-yl)pent-3-en-1-amine?
The IUPAC name of (Z)-5-(1-methylpyrrolidin-3-yl)pent-3-en-1-amine (CID 117267401) is (Z)-5-(1-methylpyrrolidin-3-yl)pent-3-en-1-amine.
What is the SMILES notation for (Z)-5-(1-methylpyrrolidin-3-yl)pent-3-en-1-amine?
The canonical SMILES for (Z)-5-(1-methylpyrrolidin-3-yl)pent-3-en-1-amine is CN1CCC(C/C=C\CCN)C1.
What is the InChIKey of (Z)-5-(1-methylpyrrolidin-3-yl)pent-3-en-1-amine?
The InChIKey is YFFOKKNLILESOV-IHWYPQMZSA-N. The full InChI is InChI=1S/C10H20N2/c1-12-8-6-10(9-12)5-3-2-4-7-11/h2-3,10H,4-9,11H2,1H3/b3-2-.
What are the key properties of (Z)-5-(1-methylpyrrolidin-3-yl)pent-3-en-1-amine?
(Z)-5-(1-methylpyrrolidin-3-yl)pent-3-en-1-amine has a molecular weight of 168.28 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-(1-methylpyrrolidin-3-yl)pent-3-en-1-amine is sourced from PubChem (CID 117267401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).