2-butyl-4-methyl-2,3,4,5-tetrahydropyridin-6-amine

C10H20N2 — CID 18428591

IUPAC2-butyl-4-methyl-2,3,4,5-tetrahydropyridin-6-amine
SMILESCCCCC1CC(C)CC(N)=N1
InChIInChI=1S/C10H20N2/c1-3-4-5-9-6-8(2)7-10(11)12-9/h8-9H,3-7H2,1-2H3,(H2,11,12)
InChIKeyOFDIQFFMQOIQBV-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.33
Rot. Bonds3

About 2-butyl-4-methyl-2,3,4,5-tetrahydropyridin-6-amine

2-butyl-4-methyl-2,3,4,5-tetrahydropyridin-6-amine (PubChem CID 18428591) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 2-butyl-4-methyl-2,3,4,5-tetrahydropyridin-6-amine.

Molecular Properties

Compound Name2-butyl-4-methyl-2,3,4,5-tetrahydropyridin-6-amine
PubChem CID18428591
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name2-butyl-4-methyl-2,3,4,5-tetrahydropyridin-6-amine
SMILESCCCCC1CC(C)CC(N)=N1
InChIInChI=1S/C10H20N2/c1-3-4-5-9-6-8(2)7-10(11)12-9/h8-9H,3-7H2,1-2H3,(H2,11,12)
InChIKeyOFDIQFFMQOIQBV-UHFFFAOYSA-N
XLogP2.33
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5S,6R)-[Octahydro-quinolin-(2E)-ylidene]amine
CID 44399940
(5S,6S)-[Octahydro-quinolin-(2E)-ylidene]amine
CID 44399941
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
3H-Cyclopenta[b]pyridin-2-amine, 4,4a,5,6,7,7a-hexahydro-4-methyl-, (4R,4aR,7aR)-
CID 10313224
6-Propyl-piperidin-(2Z)-ylideneamine
CID 10800919
2H-Pyrrol-5-amine, 3,4-dihydro-3-methyl-2-propyl-, hydrochloride (1:1)
CID 19049122
(4S,7S)-4-Methyl-octahydro-[1]pyrindin-(2E)-ylideneamine
CID 10034809
(2R,3R)-3-methyl-2-pentyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride
CID 10398017
(2R,3R)-3-methyl-2-pentyl-3,4-dihydro-2H-pyrrol-5-amine
CID 10398018

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-methyl-2,3,4,5-tetrahydropyridin-6-amine?
The IUPAC name of 2-butyl-4-methyl-2,3,4,5-tetrahydropyridin-6-amine (CID 18428591) is 2-butyl-4-methyl-2,3,4,5-tetrahydropyridin-6-amine.
What is the SMILES notation for 2-butyl-4-methyl-2,3,4,5-tetrahydropyridin-6-amine?
The canonical SMILES for 2-butyl-4-methyl-2,3,4,5-tetrahydropyridin-6-amine is CCCCC1CC(C)CC(N)=N1.
What is the InChIKey of 2-butyl-4-methyl-2,3,4,5-tetrahydropyridin-6-amine?
The InChIKey is OFDIQFFMQOIQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-3-4-5-9-6-8(2)7-10(11)12-9/h8-9H,3-7H2,1-2H3,(H2,11,12).
What are the key properties of 2-butyl-4-methyl-2,3,4,5-tetrahydropyridin-6-amine?
2-butyl-4-methyl-2,3,4,5-tetrahydropyridin-6-amine has a molecular weight of 168.28 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-methyl-2,3,4,5-tetrahydropyridin-6-amine is sourced from PubChem (CID 18428591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).