(3S)-3-methyl-4-pyrrolidin-1-ylbutan-1-imine

C9H18N2 — CID 174577570

IUPAC(3S)-3-methyl-4-pyrrolidin-1-ylbutan-1-imine
SMILES[H]/N=C/C[C@H](C)CN1CCCC1
InChIInChI=1S/C9H18N2/c1-9(4-5-10)8-11-6-2-3-7-11/h5,9-10H,2-4,6-8H2,1H3/b10-5+/t9-/m0/s1
InChIKeyLDCMLZYNORCZHZ-UMYFRRCYSA-N
MW154.26 g/mol
LogP1.76
Rot. Bonds4

About (3S)-3-methyl-4-pyrrolidin-1-ylbutan-1-imine

(3S)-3-methyl-4-pyrrolidin-1-ylbutan-1-imine (PubChem CID 174577570) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is (3S)-3-methyl-4-pyrrolidin-1-ylbutan-1-imine.

Molecular Properties

Compound Name(3S)-3-methyl-4-pyrrolidin-1-ylbutan-1-imine
PubChem CID174577570
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name(3S)-3-methyl-4-pyrrolidin-1-ylbutan-1-imine
SMILES[H]/N=C/C[C@H](C)CN1CCCC1
InChIInChI=1S/C9H18N2/c1-9(4-5-10)8-11-6-2-3-7-11/h5,9-10H,2-4,6-8H2,1H3/b10-5+/t9-/m0/s1
InChIKeyLDCMLZYNORCZHZ-UMYFRRCYSA-N
XLogP1.76
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-bromo-2-methylpropyl)piperidine;hydrobromide
CID 139026359
1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine
CID 159983719
azane;1-(2-methylpropyl)pyrrolidine
CID 122583370
4-methyl-5-piperidin-1-ylpentanal
CID 142529558
N-(2-methyl-3-pyrrolidin-1-ylpropyl)formamide
CID 64992591
N-(2-methyl-3-piperidin-1-ylpropyl)formamide
CID 64992840
1-(2-chloropropyl)pyrrolidine
CID 3020097
(2S)-N-phosphanyl-1-pyrrolidin-1-ylpropan-2-amine
CID 143859597
1-[3-(3-ethyloxiran-2-yl)-2-methylpropyl]piperidine
CID 143175870
1-[(2R)-2-methyl-3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine
CID 146334856
2-methyl-3-pyrrolidin-1-ylpropane-1-sulfinic acid
CID 57020301
5-methyl-N-(1-piperidin-1-ylpropan-2-yl)hexan-2-amine
CID 43749079

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-4-pyrrolidin-1-ylbutan-1-imine?
The IUPAC name of (3S)-3-methyl-4-pyrrolidin-1-ylbutan-1-imine (CID 174577570) is (3S)-3-methyl-4-pyrrolidin-1-ylbutan-1-imine.
What is the SMILES notation for (3S)-3-methyl-4-pyrrolidin-1-ylbutan-1-imine?
The canonical SMILES for (3S)-3-methyl-4-pyrrolidin-1-ylbutan-1-imine is [H]/N=C/C[C@H](C)CN1CCCC1.
What is the InChIKey of (3S)-3-methyl-4-pyrrolidin-1-ylbutan-1-imine?
The InChIKey is LDCMLZYNORCZHZ-UMYFRRCYSA-N. The full InChI is InChI=1S/C9H18N2/c1-9(4-5-10)8-11-6-2-3-7-11/h5,9-10H,2-4,6-8H2,1H3/b10-5+/t9-/m0/s1.
What are the key properties of (3S)-3-methyl-4-pyrrolidin-1-ylbutan-1-imine?
(3S)-3-methyl-4-pyrrolidin-1-ylbutan-1-imine has a molecular weight of 154.26 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-4-pyrrolidin-1-ylbutan-1-imine is sourced from PubChem (CID 174577570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).