(3R,4S)-3-(aminomethyl)-2,4-dimethyl-2,3,4,5-tetrahydropyridin-6-amine

C8H17N3 — CID 54488724

IUPAC(3R,4S)-3-(aminomethyl)-2,4-dimethyl-2,3,4,5-tetrahydropyridin-6-amine
SMILESCC1N=C(N)C[C@H](C)[C@@H]1CN
InChIInChI=1S/C8H17N3/c1-5-3-8(10)11-6(2)7(5)4-9/h5-7H,3-4,9H2,1-2H3,(H2,10,11)/t5-,6?,7-/m0/s1
InChIKeyXUFSOHAIJZRDEF-LOJRBXKRSA-N
MW155.24 g/mol
LogP0.35
Rot. Bonds1

About (3R,4S)-3-(aminomethyl)-2,4-dimethyl-2,3,4,5-tetrahydropyridin-6-amine

(3R,4S)-3-(aminomethyl)-2,4-dimethyl-2,3,4,5-tetrahydropyridin-6-amine (PubChem CID 54488724) has the molecular formula C8H17N3 and a molecular weight of 155.24 g/mol. Its IUPAC name is (3R,4S)-3-(aminomethyl)-2,4-dimethyl-2,3,4,5-tetrahydropyridin-6-amine.

Molecular Properties

Compound Name(3R,4S)-3-(aminomethyl)-2,4-dimethyl-2,3,4,5-tetrahydropyridin-6-amine
PubChem CID54488724
Molecular FormulaC8H17N3
Molecular Weight155.24 g/mol
Exact Mass155.14
IUPAC Name(3R,4S)-3-(aminomethyl)-2,4-dimethyl-2,3,4,5-tetrahydropyridin-6-amine
SMILESCC1N=C(N)C[C@H](C)[C@@H]1CN
InChIInChI=1S/C8H17N3/c1-5-3-8(10)11-6(2)7(5)4-9/h5-7H,3-4,9H2,1-2H3,(H2,10,11)/t5-,6?,7-/m0/s1
InChIKeyXUFSOHAIJZRDEF-LOJRBXKRSA-N
XLogP0.35
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-Ethyl-4-propyl-pyrrolidin-(2Z)-ylideneamine
CID 19049087
3-methyl-2-propyl-3,4-dihydro-2H-pyrrol-5-amine
CID 19049123
5-Methyl-4-propyl-pyrrolidin-(2Z)-ylideneamine
CID 19049152
2,4-Dimethyl-2,3,4,5-tetrahydropyridin-6-amine
CID 4247236
2H-Pyrrol-5-amine, 3,4-dihydro-3-methyl-2-propyl-, hydrochloride (1:1)
CID 19049122
(4R,6R,9R)-4-Methyl-decahydro-cyclohepta[b]pyridin-(2E)-ylideneamine
CID 44399796
4-Propyl-piperidin-(2Z)-ylideneamine
CID 10655660
N'-(5-amino-2-methylhexyl)-2-fluoroethanimidamide
CID 139908615
(4R)-2-(difluoromethyl)-5-ethyl-4-methyl-2,3,4,5-tetrahydropyridin-6-amine
CID 144615672
2H-Azepin-7-amine, 3,4,5,6-tetrahydro-4-(1-methylethyl)-
CID 18428478
2,5-dimethyl-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 18428515
3-(Aminomethyl)-2,4-dimethyl-2,3,4,5-tetrahydropyridin-6-amine;dihydrochloride
CID 18428522

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-(aminomethyl)-2,4-dimethyl-2,3,4,5-tetrahydropyridin-6-amine?
The IUPAC name of (3R,4S)-3-(aminomethyl)-2,4-dimethyl-2,3,4,5-tetrahydropyridin-6-amine (CID 54488724) is (3R,4S)-3-(aminomethyl)-2,4-dimethyl-2,3,4,5-tetrahydropyridin-6-amine.
What is the SMILES notation for (3R,4S)-3-(aminomethyl)-2,4-dimethyl-2,3,4,5-tetrahydropyridin-6-amine?
The canonical SMILES for (3R,4S)-3-(aminomethyl)-2,4-dimethyl-2,3,4,5-tetrahydropyridin-6-amine is CC1N=C(N)C[C@H](C)[C@@H]1CN.
What is the InChIKey of (3R,4S)-3-(aminomethyl)-2,4-dimethyl-2,3,4,5-tetrahydropyridin-6-amine?
The InChIKey is XUFSOHAIJZRDEF-LOJRBXKRSA-N. The full InChI is InChI=1S/C8H17N3/c1-5-3-8(10)11-6(2)7(5)4-9/h5-7H,3-4,9H2,1-2H3,(H2,10,11)/t5-,6?,7-/m0/s1.
What are the key properties of (3R,4S)-3-(aminomethyl)-2,4-dimethyl-2,3,4,5-tetrahydropyridin-6-amine?
(3R,4S)-3-(aminomethyl)-2,4-dimethyl-2,3,4,5-tetrahydropyridin-6-amine has a molecular weight of 155.24 g/mol, XLogP of 0.35, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-(aminomethyl)-2,4-dimethyl-2,3,4,5-tetrahydropyridin-6-amine is sourced from PubChem (CID 54488724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).