(1R)-2-isocyano-1-[(3R)-1-propan-2-ylpyrrolidin-3-yl]ethanamine

C10H19N3 — CID 140940860

IUPAC(1R)-2-isocyano-1-[(3R)-1-propan-2-ylpyrrolidin-3-yl]ethanamine
SMILES[C-]#[N+]C[C@H](N)[C@@H]1CCN(C(C)C)C1
InChIInChI=1S/C10H19N3/c1-8(2)13-5-4-9(7-13)10(11)6-12-3/h8-10H,4-7,11H2,1-2H3/t9-,10+/m1/s1
InChIKeySWUFHJXEJOUSBJ-ZJUUUORDSA-N
MW181.28 g/mol
LogP0.96
Rot. Bonds3

About (1R)-2-isocyano-1-[(3R)-1-propan-2-ylpyrrolidin-3-yl]ethanamine

(1R)-2-isocyano-1-[(3R)-1-propan-2-ylpyrrolidin-3-yl]ethanamine (PubChem CID 140940860) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is (1R)-2-isocyano-1-[(3R)-1-propan-2-ylpyrrolidin-3-yl]ethanamine.

Molecular Properties

Compound Name(1R)-2-isocyano-1-[(3R)-1-propan-2-ylpyrrolidin-3-yl]ethanamine
PubChem CID140940860
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name(1R)-2-isocyano-1-[(3R)-1-propan-2-ylpyrrolidin-3-yl]ethanamine
SMILES[C-]#[N+]C[C@H](N)[C@@H]1CCN(C(C)C)C1
InChIInChI=1S/C10H19N3/c1-8(2)13-5-4-9(7-13)10(11)6-12-3/h8-10H,4-7,11H2,1-2H3/t9-,10+/m1/s1
InChIKeySWUFHJXEJOUSBJ-ZJUUUORDSA-N
XLogP0.96
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-[(3R)-1-propan-2-ylpyrrolidin-3-yl]ethanamine
CID 140940785
2-piperazin-1-yl-1-(1-propan-2-ylpyrrolidin-3-yl)ethanamine
CID 117237209
2-(1-propan-2-ylpyrrolidin-3-yl)propane-1,3-diamine
CID 117237616
3-amino-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-ol
CID 117237622
ethane;1-(1-propan-2-ylpyrrolidin-3-yl)ethanol
CID 176573515
3-isocyano-1-propan-2-ylpyrrolidine
CID 84762551
4-[2-amino-2-(1-propan-2-ylpyrrolidin-3-yl)ethoxy]phenol
CID 117237493
methane;1-(1-propan-2-ylpiperidin-4-yl)ethanamine
CID 158419714
2-[2-amino-2-(1-propan-2-ylpyrrolidin-3-yl)ethoxy]phenol
CID 117237325
1,4-di(propan-2-yl)piperidine
CID 21303253
3-(azepan-1-yl)-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-amine
CID 117237666
ethane;3-methyl-1-propan-2-ylpyrrolidine
CID 156888189

Frequently Asked Questions

What is the IUPAC name of (1R)-2-isocyano-1-[(3R)-1-propan-2-ylpyrrolidin-3-yl]ethanamine?
The IUPAC name of (1R)-2-isocyano-1-[(3R)-1-propan-2-ylpyrrolidin-3-yl]ethanamine (CID 140940860) is (1R)-2-isocyano-1-[(3R)-1-propan-2-ylpyrrolidin-3-yl]ethanamine.
What is the SMILES notation for (1R)-2-isocyano-1-[(3R)-1-propan-2-ylpyrrolidin-3-yl]ethanamine?
The canonical SMILES for (1R)-2-isocyano-1-[(3R)-1-propan-2-ylpyrrolidin-3-yl]ethanamine is [C-]#[N+]C[C@H](N)[C@@H]1CCN(C(C)C)C1.
What is the InChIKey of (1R)-2-isocyano-1-[(3R)-1-propan-2-ylpyrrolidin-3-yl]ethanamine?
The InChIKey is SWUFHJXEJOUSBJ-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H19N3/c1-8(2)13-5-4-9(7-13)10(11)6-12-3/h8-10H,4-7,11H2,1-2H3/t9-,10+/m1/s1.
What are the key properties of (1R)-2-isocyano-1-[(3R)-1-propan-2-ylpyrrolidin-3-yl]ethanamine?
(1R)-2-isocyano-1-[(3R)-1-propan-2-ylpyrrolidin-3-yl]ethanamine has a molecular weight of 181.28 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-isocyano-1-[(3R)-1-propan-2-ylpyrrolidin-3-yl]ethanamine is sourced from PubChem (CID 140940860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).