(2R,3R)-3-methyl-2-pentyl-3,4-dihydro-2H-pyrrol-5-amine

C10H20N2 — CID 10398018

IUPAC(2R,3R)-3-methyl-2-pentyl-3,4-dihydro-2H-pyrrol-5-amine
SMILESCCCCC[C@H]1N=C(N)C[C@H]1C
InChIInChI=1S/C10H20N2/c1-3-4-5-6-9-8(2)7-10(11)12-9/h8-9H,3-7H2,1-2H3,(H2,11,12)/t8-,9-/m1/s1
InChIKeyROPYVXBCVYBUPM-RKDXNWHRSA-N
MW168.28 g/mol
LogP2.33
Rot. Bonds4

About (2R,3R)-3-methyl-2-pentyl-3,4-dihydro-2H-pyrrol-5-amine

(2R,3R)-3-methyl-2-pentyl-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 10398018) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is (2R,3R)-3-methyl-2-pentyl-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound Name(2R,3R)-3-methyl-2-pentyl-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID10398018
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name(2R,3R)-3-methyl-2-pentyl-3,4-dihydro-2H-pyrrol-5-amine
SMILESCCCCC[C@H]1N=C(N)C[C@H]1C
InChIInChI=1S/C10H20N2/c1-3-4-5-6-9-8(2)7-10(11)12-9/h8-9H,3-7H2,1-2H3,(H2,11,12)/t8-,9-/m1/s1
InChIKeyROPYVXBCVYBUPM-RKDXNWHRSA-N
XLogP2.33
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

Computed Properties (RDKit)

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

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Related Compounds

5-Ethyl-3-methyl-pyrrolidin-(2Z)-ylideneamine
CID 17892465
5-Ethyl-4-propyl-pyrrolidin-(2Z)-ylideneamine
CID 19049087
5-Methyl-4-propyl-pyrrolidin-(2Z)-ylideneamine
CID 19049152
3H-Cyclopenta[b]pyridin-2-amine, 4,4a,5,6,7,7a-hexahydro-4-methyl-, (4R,4aR,7aR)-
CID 10313224
2-Ethyl-3-methyl-3,4-dihydro-2H-pyrrol-5-amine
CID 10396852
5-Ethyl-4-methylpyrrolidin-2-imine, monohydrochloride
CID 19049098
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
(4R,4aR,5R)-4-Methyl-octahydro-quinolin-(2E)-ylideneamine
CID 11240701
(4R,6R,9R)-4-Methyl-decahydro-cyclohepta[b]pyridin-(2E)-ylideneamine
CID 44399796
(4S,4aS,5S)-4-Methyl-octahydro-quinolin-(2E)-ylideneamine
CID 44399834

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-methyl-2-pentyl-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of (2R,3R)-3-methyl-2-pentyl-3,4-dihydro-2H-pyrrol-5-amine (CID 10398018) is (2R,3R)-3-methyl-2-pentyl-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for (2R,3R)-3-methyl-2-pentyl-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for (2R,3R)-3-methyl-2-pentyl-3,4-dihydro-2H-pyrrol-5-amine is CCCCC[C@H]1N=C(N)C[C@H]1C.
What is the InChIKey of (2R,3R)-3-methyl-2-pentyl-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is ROPYVXBCVYBUPM-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H20N2/c1-3-4-5-6-9-8(2)7-10(11)12-9/h8-9H,3-7H2,1-2H3,(H2,11,12)/t8-,9-/m1/s1.
What are the key properties of (2R,3R)-3-methyl-2-pentyl-3,4-dihydro-2H-pyrrol-5-amine?
(2R,3R)-3-methyl-2-pentyl-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 168.28 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-methyl-2-pentyl-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 10398018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).