(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-amine

C8H19N3 — CID 91910919

IUPAC(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-amine
SMILESCN(C)C[C@@H]1CN(C)C[C@H]1N
InChIInChI=1S/C8H19N3/c1-10(2)4-7-5-11(3)6-8(7)9/h7-8H,4-6,9H2,1-3H3/t7-,8-/m1/s1
InChIKeyMRVCUNOLHZNECZ-HTQZYQBOSA-N
MW157.26 g/mol
LogP-0.56
Rot. Bonds2

About (3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-amine

(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-amine (PubChem CID 91910919) has the molecular formula C8H19N3 and a molecular weight of 157.26 g/mol. Its IUPAC name is (3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-amine
PubChem CID91910919
Molecular FormulaC8H19N3
Molecular Weight157.26 g/mol
Exact Mass157.16
IUPAC Name(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-amine
SMILESCN(C)C[C@@H]1CN(C)C[C@H]1N
InChIInChI=1S/C8H19N3/c1-10(2)4-7-5-11(3)6-8(7)9/h7-8H,4-6,9H2,1-3H3/t7-,8-/m1/s1
InChIKeyMRVCUNOLHZNECZ-HTQZYQBOSA-N
XLogP-0.56
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-amine?
The IUPAC name of (3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-amine (CID 91910919) is (3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-amine.
What is the SMILES notation for (3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-amine?
The canonical SMILES for (3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-amine is CN(C)C[C@@H]1CN(C)C[C@H]1N.
What is the InChIKey of (3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-amine?
The InChIKey is MRVCUNOLHZNECZ-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H19N3/c1-10(2)4-7-5-11(3)6-8(7)9/h7-8H,4-6,9H2,1-3H3/t7-,8-/m1/s1.
What are the key properties of (3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-amine?
(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-amine has a molecular weight of 157.26 g/mol, XLogP of -0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-amine is sourced from PubChem (CID 91910919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).