(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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Related Compounds

(1-Butylpyrrolidin-3-yl)methanamine
CID 24275255
2-[3-(Aminomethyl)-1-pyrrolidinyl]-N,N-dimethylethanamine
CID 24696719
(1-(Butan-2-yl)pyrrolidin-3-yl)methanamine
CID 17389968
2-(Pyrrolidin-1-yl)propan-1-amine
CID 11051670
3-(Diethylamino)pyrrolidine
CID 19961995
4-Methyl-1-(propan-2-yl)pyrrolidin-3-amine
CID 58030188
1-(Cyclopropylmethyl)pyrrolidin-3-amine
CID 16244565
(1-(Propan-2-yl)pyrrolidin-3-yl)methanamine
CID 21978903
(1-Tert-butylpyrrolidin-3-yl)methanamine
CID 24275282
(1-Ethylpyrrolidin-3-yl)methanamine
CID 15028164
1-Methylpyrrolidin-3-amine
CID 18940396
3-Methyl-2-(pyrrolidin-1-yl)butan-1-amine
CID 43176112

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).